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Journal articles on the topic 'ZINC database'

Author: Grafiati

Published: 4 June 2021

Last updated: 27 April 2022

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1

Fu, Fengli, and Daniel F. Voytas. "Zinc Finger Database (ZiFDB) v2.0: a comprehensive database of C2H2 zinc fingers and engineered zinc finger arrays." Nucleic Acids Research 41, no. D1 (November 29, 2012): D452—D455. http://dx.doi.org/10.1093/nar/gks1167.

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2

Koes, D. R., and C. J. Camacho. "ZINCPharmer: pharmacophore search of the ZINC database." Nucleic Acids Research 40, W1 (May 2, 2012): W409—W414. http://dx.doi.org/10.1093/nar/gks378.

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3

Ding, G., P. Lorenz, M. Kreutzer, Y. Li, and H. J. Thiesen. "SysZNF: the C2H2 zinc finger gene database." Nucleic Acids Research 37, Database (January 1, 2009): D267—D273. http://dx.doi.org/10.1093/nar/gkn782.

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4

Maret, Wolfgang. "Zinc proteomics and the annotation of the human zinc proteome." Pure and Applied Chemistry 80, no. 12 (January 1, 2008): 2679–87. http://dx.doi.org/10.1351/pac200880122679.

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Sequence databases can be searched for homologies of zinc coordination motifs with characteristic ligand signatures. Ensuing predictions that 3-10 % of the human genes encodes zinc proteins are most remarkable. But they seem conservative when considering that database mining cannot discover new signatures or coordination environments that employ nonsequential binding of ligands and sulfur-ligand bridges. Predictions also fall short for zinc/protein interactions at protein interfaces and for inhibitory zinc sites. Zinc ions transiently target proteins that are not known to be zinc proteins, adding a hitherto unrecognized dimension to the human zinc proteome. Predicted zinc sites need to be verified experimentally. The metal can be absent or sites may bind metal ions other than zinc because protein coordination environments do not have absolute specificity for zinc. The metaphor of the "galvanization of biology" continues to gain prominence in terms of the sheer number of approximately 3000 human zinc proteins and their annotation with new functions. Clearly, description of zinc proteomes cannot be pursued solely in silico and requires zinc proteomics, an integrated scientific approach. Progress hinges on a combination of bioinformatics, biology, and significantly, analytical and structural chemistry.

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5

Awale, Mahendra, and Jean-Louis Reymond. "A multi-fingerprint browser for the ZINC database." Nucleic Acids Research 42, W1 (April 29, 2014): W234—W239. http://dx.doi.org/10.1093/nar/gku379.

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6

Bobrowski, Tesia M., Daniel R. Korn, Eugene N. Muratov, and Alexander Tropsha. "ZINC Express: A Virtual Assistant for Purchasing Compounds Annotated in the ZINC Database." Journal of Chemical Information and Modeling 61, no. 3 (March 5, 2021): 1033–36. http://dx.doi.org/10.1021/acs.jcim.0c01419.

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7

Fu, F., J. D. Sander, M. Maeder, S. Thibodeau-Beganny, J. K. Joung, D. Dobbs, L. Miller, and D. F. Voytas. "Zinc Finger Database (ZiFDB): a repository for information on C2H2 zinc fingers and engineered zinc-finger arrays." Nucleic Acids Research 37, Database (January 1, 2009): D279—D283. http://dx.doi.org/10.1093/nar/gkn606.

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8

MAURER-STROH, SEBASTIAN, HE GAO, HAO HAN, LIES BAETEN, JOOST SCHYMKOWITZ, FREDERIC ROUSSEAU, LOUXIN ZHANG, and FRANK EISENHABER. "MOTIF DISCOVERY WITH DATA MINING IN 3D PROTEIN STRUCTURE DATABASES: DISCOVERY, VALIDATION AND PREDICTION OF THE U-SHAPE ZINC BINDING ("HUF-ZINC") MOTIF." Journal of Bioinformatics and Computational Biology 11, no. 01 (February 2013): 1340008. http://dx.doi.org/10.1142/s0219720013400088.

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Data mining in protein databases, derivatives from more fundamental protein 3D structure and sequence databases, has considerable unearthed potential for the discovery of sequence motif—structural motif—function relationships as the finding of the U-shape (Huf-Zinc) motif, originally a small student's project, exemplifies. The metal ion zinc is critically involved in universal biological processes, ranging from protein-DNA complexes and transcription regulation to enzymatic catalysis and metabolic pathways. Proteins have evolved a series of motifs to specifically recognize and bind zinc ions. Many of these, so called zinc fingers, are structurally independent globular domains with discontinuous binding motifs made up of residues mostly far apart in sequence. Through a systematic approach starting from the BRIX structure fragment database, we discovered that there exists another predictable subset of zinc-binding motifs that not only have a conserved continuous sequence pattern but also share a characteristic local conformation, despite being included in totally different overall folds. While this does not allow general prediction of all Zn binding motifs, a HMM-based web server, Huf-Zinc, is available for prediction of these novel, as well as conventional, zinc finger motifs in protein sequences. The Huf-Zinc webserver can be freely accessed through this URL ( http://mendel.bii.a-star.edu.sg/METHODS/hufzinc/ ).

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9

Sauban Ghani, Syed. "A comprehensive review of database resources in chemistry." Eclética Química Journal 45, no. 3 (July 1, 2020): 57–68. http://dx.doi.org/10.26850/1678-4618eqj.v45.3.2020.p57-68.

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As scientific community worldwide is publishing a huge number of research articles in various fields; it is necessary to distinguish between databases that are efficient and objective for literature searches. This review offers information on the important points of the database. None of the databases are complete and perfect, but they complement each other. If a library can only afford one, choice must be based on the priorities of institutional needs. The benefits that databases can provide in the preparation of the literature review for developing future studies and dissemination of research are discussed. This paper provides an overview of the most frequently used free chemistry databases such as PubChem, Crystallography Open Database, PubMed, ZINC, ChemSpider, and Google Scholar. It also gives a brief description of three major commercial databases such as Scopus, Web of Science, and SciFinder. Thus, substance and citation databases that covers almost all areas of chemistry, has become an invaluable tool in bibliometric analysis.

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10

Thomas, TonyAbraham. "Zinc supplementation in diarrhea: Summary of cochrane database review." Current Medical Issues 15, no. 2 (2017): 142. http://dx.doi.org/10.4103/cmi.cmi_35_17.

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11

Hidayat, Cecep, Anuraga Jayanegara, and Elizabeth Wina. "Effect of zinc on the immune response and production performance of broilers: a meta-analysis." Asian-Australasian Journal of Animal Sciences 33, no. 3 (March 1, 2020): 465–79. http://dx.doi.org/10.5713/ajas.19.0146.

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Objective: This study performed a meta-analysis of published trials to determine the effects of zinc on the immune response and production performance of broilers.Methods: A database was built from published literature regarding the addition of zinc forms or doses and their relation to the immune response and production performance of broilers. Different doses or forms of zinc were identified in the database. The recorded parameters were related to the immune response and production performance. The database contained a total of 323 data points from 41 studies that met the criteria. Then, the data were processed for a meta-analysis using a mixed model methodology. The doses or different forms of zinc were considered fixed effects, different studies were treated as random effects, and p-values were used as the model statistics.Results: An increase in zinc dose increased (p<0.05) pancreas metallothionein (MT) and zinc concentrations in the plasma, tibia and meat, all in quadratic patterns, but linearly decreased (p<0.05) the heterophil/lymphocyte (H/L) ratio. Regarding the different zinc forms, both inorganic and organic zinc increased (p<0.05) the zinc concentrations in the plasma and tibia, the calcium and phosphorus contents in the tibia, and the antioxidant activity of superoxide dismutase in meat as compared to control. An increase in zinc dose increased average daily gain (ADG) and decreased feed conversion ratio (FCR) following a quadratic pattern (p<0.05). Inorganic and organic zinc decreased (p<0.05) FCR and H/L ratio than that of control, but these two forms were similar for these parameters.Conclusion: Zinc addition has a positive impact on immunity and broiler production. Zinc can suppress stress and inhibit the occurrence of lipid peroxidation in broilers, and it can also improve ADG, FCR, and the quality of broiler carcasses.

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12

Penney, S. R., R. M. Allen, S. Harrisson, T. C. Lees, F. C. Murphy, and A. R. Norman. "The global distribution of zinc mineralisation, an analysis based on a new zinc deposits database." Applied Earth Science 113, no. 3 (September 2004): 171–82. http://dx.doi.org/10.1179/037174504225005672.

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13

SHARMA, DINESH K., RAKESH K. SHARMA, and DEBASIS GHOSH. "SPATIAL DECISION SUPPORT SYSTEM FOR ZINC CONTENT IN SOIL." International Journal of Information Technology & Decision Making 04, no. 04 (December 2005): 567–80. http://dx.doi.org/10.1142/s021962200500174x.

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Spatial decision support systems can enhance the efficiency and effectiveness of decision-making about the zinc status of soil. In this paper, we present an interactive spatial decision support system (ISDSS), identifying the zinc deficiency zone(s), thus enabling the decision-maker to take appropriate measures for correcting zinc deficiencies in soil. The system can display a contour map of the required Block, District, or State of West Bengal along with information about the quantity of zinc to be added to the soil, if the available zinc is not sufficient for a particular crop. The ISDSS consists of a non-spatial database management system and corresponding spatial database, a model base management system, and a user interface. The ISDSS is developed using the scripting language EASI (Engineering Analysis and Scientific Interface) under the GIS software tool, SPANS (Spatial Analysis System). The system runs under the Microsoft Windows operating system.

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14

KumarYadla, Phani, Allam Appa Rao, A. Swaroopa Rani, and M. Naresh Babu. "Virtual Screening of Dipeptidyl Peptidase IV Inhibitors from Zinc Database." International Journal of Computer Applications 56, no. 8 (October 20, 2012): 31–34. http://dx.doi.org/10.5120/8912-2959.

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15

Jayakanthan, Mannu, Jayaraman Muthukumaran, Sanniyasi Chandrasekar, Konika Chawla, Ankita Punetha, and Durai Sundar. "ZifBASE: a database of zinc finger proteins and associated resources." BMC Genomics 10, no. 1 (2009): 421. http://dx.doi.org/10.1186/1471-2164-10-421.

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16

Sudha, Kotaprolu Naga, Mohammed Shakira, Paturi Prasanthi, Nalla Sarika, Ch Narasimha Kumar, and Padavala Ajay Babu. "Virtual screening for novel COX-2 inhibitors using the ZINC database." Bioinformation 2, no. 8 (May 13, 2008): 325–29. http://dx.doi.org/10.6026/97320630002325.

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17

Irwin, John J., and Brian K. Shoichet. "ZINC − A Free Database of Commercially Available Compounds for Virtual Screening." Journal of Chemical Information and Modeling 45, no. 1 (January 2005): 177–82. http://dx.doi.org/10.1021/ci049714+.

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18

Furihata, Kei, Masaru Tsuchikawa, Takaki Miwa, Yuji Naito, Koji Oba, and Masafumi Sakagami. "Efficacy and Safety of Polaprezinc (Zinc Compound) on Zinc Deficiency: A Systematic Review and Dose–Response Meta-Analysis of Randomized Clinical Trials Using Individual Patient Data." Nutrients 12, no. 4 (April 17, 2020): 1128. http://dx.doi.org/10.3390/nu12041128.

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Zinc intake is recommended for zinc deficiency. In clinical practice, polaprezinc has been used as a zinc replacement therapy for zinc deficiency. However, the efficacy of polaprezinc has not been established. To confirm the efficacy on zinc deficiency of polaprezinc and provide additional information on an appropriate regimen, we conducted a systematic review using individual patient data (IPD). We searched PubMed, the Japanese database Ichushi, and the database owned by the marketing authorization holder of polaprezinc. Randomized placebo-controlled trials that reported the serum zinc concentration were eligible. The mean difference of the change from baseline in serum zinc concentration was estimated using a fixed-effects model. The linear dose–response relationship and the subgroup effects were also assessed. Out of 54 unique randomized clinical trials (RCTs), four studies met the eligibility criteria, and we could access IPD for all of them. All three doses of polaprezinc (75 mg, 150 mg, and 300 mg) and the placebo group were examined. The dose-combined overall polaprezinc increased the change from baseline by a mean of 9.08 µg/dL (95% confidence interval: 5.46, 12.70; heterogeneity: I 2 = 0.61%) compared to the placebo. A significant dose–response relationship was confirmed (p < 0.001). Baseline serum zinc concentration was considered an effect modifier in polaprezinc 300 mg. All doses of polaprezinc were tolerable, but a dose–response relationship with adverse events (AEs) was observed in gastrointestinal disorders. The dose of 300 mg may be useful among patients with baseline serum zinc concentration of less than 70 µg/dL, and 150 mg for 70 µg/dL or more.

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19

Gupta, Shipra, Kirti Arora, and Geeta Trilok-Kumar. "Zinc Content of Cereals and Pulses in Delhi." Indian Journal of Nutrition and Dietetics 55, no. 2 (April 4, 2018): 216. http://dx.doi.org/10.21048/ijnd.2018.55.2.16049.

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Severe zinc deficiency is rare in India but mild to moderate deficiency could be widespread. There is little data on zinc intakes based on nutritional assessment methods, mainly because the Indian Food Composition Tables that were available until recently gave incomplete zinc content values in foods. A pilot study was, therefore, undertaken to assess the zinc content of cereals and pulses consumed in Delhi and to compare the values with those given in the latest Indian Food Composition Tables. Four hundred and twenty six samples of twenty three varieties of cereals / cereal products and fifteen varieties of pulses, collected from wholesale suppliers in the north, south, east and west zones of Delhi, were analyzed for zinc using atomic absorption spectrophotometer. The concentration of zinc in a given cereal or pulse varied widely between the different zones. Cereals like pearl millet, Italian millet, dry maize, whole wheat and its flour and pulses like roasted Bengal gram and dry peas, Bengal gram dhal and lentil dhal were identified as rich sources of zinc. The mean zinc content in most of the foods analysed in the laboratory showed significant differences when compared with the mean values for cereals and pulses reported in the Indian Food Composition Tables given by the National Institute of Nutrition - Indian Council of Medical Research in 2017. A region specific food composition database is urgently needed as there seem to be huge differences in the zinc values of cereals and pulses consumed in Delhi as compared to the average values representative of all states given in the latest food composition database.

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20

Bojić, Tijana, Milan Sencanski, Vladimir Perovic, Jelena Milicevic, and Sanja Glisic. "In Silico Screening of Natural Compounds for Candidates 5HT6 Receptor Antagonists against Alzheimer’s Disease." Molecules 27, no. 9 (April 19, 2022): 2626. http://dx.doi.org/10.3390/molecules27092626.

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Alzheimer’s disease (AD), a devastating neurodegenerative disease, is the focus of pharmacological research. One of the targets that attract the most attention for the potential therapy of AD is the serotonin 5HT6 receptor, which is the receptor situated exclusively in CNS on glutamatergic and GABAergic neurons. The neurochemical impact of this receptor supports the hypothesis about its role in cognitive, learning, and memory systems, which are of critical importance for AD. Natural products are a promising source of novel bioactive compounds with potential therapeutic potential as a 5HT6 receptor antagonist in the treatment of AD dementia. The ZINC—natural product database was in silico screened in order to find the candidate antagonists of 5-HT6 receptor against AD. A virtual screening protocol that includes both short-and long-range interactions between interacting molecules was employed. First, the EIIP/AQVN filter was applied for in silico screening of the ZINC database followed by 3D QSAR and molecular docking. Ten best candidate compounds were selected from the ZINC Natural Product database as potential 5HT6 Receptor antagonists and were proposed for further evaluation. The best candidate was evaluated by molecular dynamics simulations and free energy calculations.

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21

Ravi D, Chaitanya Kumar K, Mothilal K, and Mahender K. "High throughput virtual screening of cyclooxygenase-2 by using database." International Journal of Pharmaceutical Research and Life Sciences 8, no. 2 (December 10, 2020): 97–100. http://dx.doi.org/10.26452/ijprls.v8i2.1358.

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COX-2 is a type of Non-steroidal mitigating drug (NSAID) that legitimately targets COX-2, a protein liable for irritation and torment. Selectivity for COX-2 decreases the danger of peptic ulceration and is the fundamental component of celecoxib, rofecoxib and different individuals from this medication class. COX-2 selectivity doesn't appear to influence other antagonistic impacts of NSAIDs (most prominently an expanded danger of renal disappointment), and a few outcomes have excited the doubt that there may be an expansion in danger for cardiovascular failure, apoplexy and stroke by a relative increment in thromboxane. The target of this investigation is to screen drug-like compounds from Zinc database and to predict the potency and activity by using Virtual Screening and Molecular Docking Study. The scope of the study extends to predict the feasibility of the compounds for Drug development. Hence, this examination expresses the significance of little particle libraries and their utilization to upgrade drug revelation measure earlier amalgamation. This way to deal with screen original mixes as COX-2 inhibitors from ZINC information base relies upon different boundaries, for example, Lipinski's standard of 5, pharmacophoric bunches appended on the ligand, size of the dataset and compound libraries among others. Additional, exertion can be stretched out to consider the receptor-ligand associations tentatively, and assessment of their organic action would help in planning mixes dependent on simulated screening strategies.

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22

Ghasemi, Jahan, Fereshteh Shiri, Somayeh Pirhadi, and Zahra Heidari. "Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database." Combinatorial Chemistry & High Throughput Screening 18, no. 2 (February 15, 2015): 227–34. http://dx.doi.org/10.2174/1386207318666141229123705.

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23

Monika, Janmeet Kour, and Kulwinder Singh. "Virtual screening using the ligand ZINC database for novel lipoxygenase-3 inhibitors." Bioinformation 9, no. 11 (June 29, 2013): 583–87. http://dx.doi.org/10.6026/97320630009583.

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24

Mugumbate, Grace, Ana S. Newton, Philip J. Rosenthal, Jiri Gut, Rui Moreira, Kelly Chibale, and Rita C. Guedes. "Novel anti-Plasmodial hits identified by virtual screening of the ZINC database." Journal of Computer-Aided Molecular Design 27, no. 10 (October 2013): 859–71. http://dx.doi.org/10.1007/s10822-013-9685-z.

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25

Kolář, Michal H., Paolo Carloni, and Pavel Hobza. "Statistical analysis of σ-holes: a novel complementary view on halogen bonding." Phys. Chem. Chem. Phys. 16, no. 36 (2014): 19111–14. http://dx.doi.org/10.1039/c4cp02621g.

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26

R, Thirumalaisamy. "Comparative Anti–Alzheimer’s Potential Evaluation of Curcumin and Curcumin Analogues obtained from ZINC Database: An in-Silico Validation." TEXILA INTERNATIONAL JOURNAL OF PUBLIC HEALTH 9, no. 4 (December 28, 2021): 269–83. http://dx.doi.org/10.21522/tijph.2013.09.04.art023.

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Curcumin and its eleven analogues obtained from the ZINC database were screened for its anti-Alzheimer’s potential validated through in silico approach. Curcumin, eleven curcumin analogues from the ZINC database, and six standard anti-Alzheimer’s drugs were obtained from SWISS ADME and Pub chem database. All obtained molecules were subjected to drug-likeness, molecular docking, and ADMET analysis. Curcumin and eleven curcumin analogues show no violations against five drug-likeness rules, whereas 2 standard drugs (CID¬_11269353, CID_46883536) out of 5 screened standard drug molecules shows violations in drug likeness property. Curcumin and curcumin analogues possess docking scores in the range of -7.5 to 9.9 Kcal/mol, whereas reference standard drugs docking score lies in the range of -6.4 to -11.0 Kcal/mol against all three Alzheimer’s disease molecular targets. Finally, our present study has proven that curcumin analogues possess some novel anti-Alzheimer’s properties over curcumin and standard reference drug. It needs to be validated and commercialized after in vivo preclinical trials.

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27

Santana, Indiara Vieira, Aldo Barbosa Côrtes Filho, Antônio Anderson Freitas Pinheiro, Édson Gabriel dos Santos, Danyo Maia Lima, Maíra Mercês Barreto, Evely Rocha Lima, and Gildomar Lima Valasques Junior. "In silico screening of compounds from the Bahia semiarid region for identification of potential inhibitors of the p38 MAPK protein." Research, Society and Development 9, no. 10 (October 4, 2020): e4439108723. http://dx.doi.org/10.33448/rsd-v9i10.8723.

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The P38 MAPK protein is mainly involved in the synthesis of the proinflammatory cytokines IL1 and TNF-alpha and is important in the maintenance and amplification of the inflammatory process. Therefore, this protein presents high potential as a pharmacological target in the search for new treatments for inflammatory diseases. In silico approach has been of great importance to develop quick and inexpensive target identification and way to discover new bioactive molecules. This study used a computer ligand-docking method to screen the compounds from the Bahia semiarid region in silico for their ability to inhibit p38 MAPK activity. The protein crystallographic structure of the p38 MAPK was obtained from the Macromolecular Protein Data Bank. Northeast semiarid molecules were obtained from the ZINC database. The database was screened and a set of 233 molecules were selected as candidates using filtering based on parameters of the rule of Lipinski and Verber. The docking was carried out using the program Autodock Vina in its default configuration. The compound with ZINC databank code: 91596862 was found the most promising compound acoording to their binding free energy value obtained in the docking experiments (11,1 Kcal.mol-1) Intermolecular interactions analysis suggested that Van der Waals interactions are crucial to the ZINC molecule 69481892 in the active site of the p38 MAPK protein. Data resulting from all dockings are significant, although it has low accuracy. Thus, the hypothetical results of these in silico studies should be confirmed by in vitro and/or in vivo tests.

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28

Doytchinova, Irini, Mariyana Atanasova, Iva Valkova, Georgi Stavrakov, Irena Philipova, Zvetanka Zhivkova, Dimitrina Zheleva-Dimitrova, Spiro Konstantinov, and Ivan Dimitrov. "Novel hits for acetylcholinesterase inhibition derived by docking-based screening on ZINC database." Journal of Enzyme Inhibition and Medicinal Chemistry 33, no. 1 (January 1, 2018): 768–76. http://dx.doi.org/10.1080/14756366.2018.1458031.

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29

Lee, Seung Ho, Hee Ra Lee, Yu-Ri Kim, Yoon-Hee Park, Sang Wook Son, Jae-Eun Pie, and Meyoung-Kon Kim. "Effective construction of a database on toxicity information for nanoscale zinc oxide materials." Toxicology and Environmental Health Sciences 4, no. 1 (March 2012): 57–61. http://dx.doi.org/10.1007/s13530-012-0113-x.

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30

Wali Sait, Khalid Hussain. "Molecular docking analysis of HER-2 inhibitor from the ZINC database as anticancer agents." Bioinformation 16, no. 11 (November 30, 2020): 882. http://dx.doi.org/10.6026/97320630016882.

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The human epidermal growth factor (HER2) is a transmembrane receptor that is highly expressed in breast cancer and in different other cancers. Therefore, it is of interest to identify the new HER2 inhibitors from a selected 300 compounds in the ZINC database. The top two hit compounds (ZINC000014780728 (-11.0 kcal/mol) and ZINC000014762512 (-10.8 kcal/mol)) showed a high affinity with HER2 relative to the reference compound (lapatinib (-10.2 kcal/mol)) for further consideration.

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Bhosale, Rahul R., Anand Kumar, Fares AlMomani, Majeda Khraisheh, and Gorakshnath Takalkar. "Solar Energy Storage via Thermochemical Metal Oxide/Metal Sulfate Water Splitting Cycle." MRS Advances 3, no. 24 (2018): 1341–46. http://dx.doi.org/10.1557/adv.2018.50.

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ABSTRACTThis paper reports the effect of Ar molar flow-rate on thermodynamic efficiency analysis of zinc oxide-zinc sulfate (ZnS-ZnO) water splitting cycle useful for solar H2 production. The thermodynamic efficiency analysis is conducted using the HSC Chemistry 7.1 software and its thermodynamic database. Influence of Ar molar flow-rate on total solar energy input essential for the continuous operation of the cycle is explored. Furthermore, the solar-to-fuel energy conversion efficiency for the ZnS-ZnO water splitting cycle is determined.

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32

Sharma, Pankaj. "Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database." Bioinformation 17, no. 1 (January 31, 2021): 139–46. http://dx.doi.org/10.6026/97320630017139.

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The pyruvate kinase M2 isoform (PKM2) is linked with cancer. Therefore, it is of interest to document the molecular docking analysis of Pyruvate Kinase M2 (PDB ID: 4G1N) with potential activators from the ZINC database. Thus, we document the optimal molecular docking features of a compound having ID ZINC000034285235 with PKM2 for further consideration.

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Levin, Nicole, Taylor Gray, Maheera Farsi, David Dorton, and Richard Miller. "Topical Zinc May Augment Post-Operative Wound Healing, Including Following Mohs Micrographic Surgery: A Review of the Literature." SKIN The Journal of Cutaneous Medicine 4, no. 5 (September 1, 2020): 395–403. http://dx.doi.org/10.25251/skin.4.5.1.

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Background: Zinc, an essential mineral, has been extensively studied in the field of dermatology for the treatment of a plethora of skin conditions. However, minimal literature exists regarding its use for the enhanced healing of wounds after surgery, including following Mohs micrographic surgery (MMS).Objective: Evaluate the available literature regarding the utilization of zinc for enhanced healing of post-surgical wounds in humans.Methods: A systematic review of studies evaluating the use of zinc for post-surgical management was conducted via an electronic literature search of the PubMed database. Clinical trials were searched using ClinicalTrails.gov.Results: Topical zinc formulations may decrease healing time and post-operative infection rates, including following MMS of the lower extremity.Limitations: Currently, there are a limited number of studies available on this topic, with lack of a standard comparable outcome measure.Conclusion: Topical zinc oxide may be a beneficial treatment option for post-surgical wound healing, including after MMS. Further studies are needed to better define the efficacy of zinc for post-operative wound healing and the optimal treatment regimen.

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34

Kavanagh, Oisín, Robert Elmes, Finbarr O’Sullivan, John Farragher, Shane Robinson, and Gavin Walker. "Investigating Structural Property Relationships to Enable Repurposing of Pharmaceuticals as Zinc Ionophores." Pharmaceutics 13, no. 12 (November 29, 2021): 2032. http://dx.doi.org/10.3390/pharmaceutics13122032.

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The importance of zinc in biology has gained greater recognition in recent years due to its essential contributions to the function of many endogenous enzymes. Disruption of zinc homeostasis may be useful in treating pathological conditions, such as Alzheimer’s, and for antiviral purposes. Despite the growth of knowledge and increased interest in zinc, little is known about the structure and function of zinc ionophores. In this study we analyse the Cambridge Structural Database and solution complexation studies found in the literature to identify key functional groups which may confer zinc ionophorism. Pharmaceuticals, nutraceuticals and amino acids with these functionalities were selected to enable us to explore the translatability of ionophoric activity from in vitro assays to cellular systems. We find that although certain species may complex to zinc in the solid and solution states, and may carry ions across simple membrane systems, this does not necessarily translate into ionophoric activity. We propose that the CSD can help refine key functionalities but that ionophoric activity must be confirmed in cellular systems.

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35

Chary, Krishnan Vengadaragava, and Rithu Bhaskaran. "RATIONALITY ASSESSMENT OF ZINC FORMULATIONS AVAILABLE IN INDIA." International Journal of Pharmacy and Pharmaceutical Sciences 9, no. 8 (August 1, 2017): 200. http://dx.doi.org/10.22159/ijpps.2017v9i8.19178.

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Objective: To critically analyze the essentiality and irrational zinc preparations available in Indian market. Methods: This was conducted as cross-sectional analysis by department of pharmacology of our tertiary care hospital between June and December 2016. Data regarding various formulations of zinc were retrieved from current index of medical sciences and drug India database. Rationality assessment was done using prescribed guidelines and approved formulations of zinc by Central drug standard control organisation. Essentiality was checked using National list of essential medicine India, 2013 and latest version of WHO list essential medicine bulletin. Dosage regulation was assessed using Indian pharmacopeia guidelines, National institute of nutrition, India recommendation and upper daily intake toxicity intake, United States of America (USA)Results: Our study results showed wide variation in the number of zinc preparation. Total number of formulation available in the market is 335. Among zinc preparation, the preparation that contains 20 mg of zinc as recommended by various guidelines is 10 in number. About 325 preparations of zinc are added with one or more nutraceuticals. None of these fixed dose combination of zinc containing preparation is recommended as essential fixed regimen.Conclusion: Zinc has lot of relevance in treating recurrent diarrhoeal illness, especially in paediatric cases; however legal, regulatory and educational measures should be followed to curtail all the irrational zinc prescription development, promotion, marketing and prescription.

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Steinmann, Casper, and Jan H. Jensen. "Using a genetic algorithm to find molecules with good docking scores." PeerJ Physical Chemistry 3 (May 17, 2021): e18. http://dx.doi.org/10.7717/peerj-pchem.18.

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A graph-based genetic algorithm (GA) is used to identify molecules (ligands) with high absolute docking scores as estimated by the Glide software package, starting from randomly chosen molecules from the ZINC database, for four different targets: Bacillus subtilis chorismate mutase (CM), human β2-adrenergic G protein-coupled receptor (β2AR), the DDR1 kinase domain (DDR1), and β-cyclodextrin (BCD). By the combined use of functional group filters and a score modifier based on a heuristic synthetic accessibility (SA) score our approach identifies between ca 500 and 6,000 structurally diverse molecules with scores better than known binders by screening a total of 400,000 molecules starting from 8,000 randomly selected molecules from the ZINC database. Screening 250,000 molecules from the ZINC database identifies significantly more molecules with better docking scores than known binders, with the exception of CM, where the conventional screening approach only identifies 60 compounds compared to 511 with GA+Filter+SA. In the case of β2AR and DDR1, the GA+Filter+SA approach finds significantly more molecules with docking scores lower than −9.0 and −10.0. The GA+Filters+SA docking methodology is thus effective in generating a large and diverse set of synthetically accessible molecules with very good docking scores for a particular target. An early incarnation of the GA+Filter+SA approach was used to identify potential binders to the COVID-19 main protease and submitted to the early stages of the COVID Moonshot project, a crowd-sourced initiative to accelerate the development of a COVID antiviral.

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Virgili, Fabio, Roberto Ambra, Jacqueline McCormack, Ellen E. A. Simpson, Donatella Ciarapica, Lorenzo Barnaba, Elena Azzini, and Angela Polito. "Genetic Polymorphisms and Zinc Status: Implications for Supplementation in Metabolic Diseases." Current Pharmaceutical Design 24, no. 35 (January 24, 2019): 4131–43. http://dx.doi.org/10.2174/1381612824666181016155903.

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Background: Zinc is an essential component for all living organisms, representing the second most abundant trace element, after iron. This element is widely distributed in the tissues of a human body where it is involved in normal growth, reproduction and several biological functions including immunity, energy metabolism and antioxidant processes. Because of its essential role, zinc levels in the human body must remain constant, independently of dietary intake fluctuations. The homeostasis of zinc is a well-regulated cellular process and has been reported to be chiefly mediated by the expression and activity of zinc-binding proteins such as metallothioneins and zinc transporters. Genes encoding for these proteins are subjected to genetic variants. Methods: We performed a multi-database electronic search to provide an overview on the relationship between specific polymorphisms (SNP) of genes encoding for metallothioneins and zinc transporters and their relationship with zinc status, immune function and some non-communicable diseases. Results: A number of SNP are implicated in a range of metabolic disease. Some SNP may affect the impact of zinc supplementation on immune function, diabetes, and obesity. Conclusion: New studies are needed to clarify the interaction between individual genetic profile and zinc status. Moreover, there is a need for a better interaction between the scientific bodies and health professionals to allow better dietary and behavioural recommendations to promote human health, with particular concern to elderly people.

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Akshayaa, L. "Molecular docking analysis of HER-2 inhibitor from the ZINC database as anticancer agent." Bioinformation 16, no. 11 (November 30, 2020): 878–81. http://dx.doi.org/10.6026/97320630016878.

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Design and development of effective anti-virals in combating CoVid-19 is a great challenge worldwide. Known drugs such as chloroquine, lopinavir, favipiravir and remdesivir are used in the management of CoVid - 19. It is known that Ivermectin and remdesivir both are effective against filoviruses, paramyxo viruses. Available data also shows that ivermectin and remedesivir repress the replication of SARS-CoV-2. Thus, we document the potential use of ivermectin and remdesivir in the management of CoVid -19.

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Mutaqqin, Fauzan Zein, La Ode Aman, Wayan Ayu Puje Astuti, Ellin Febrina, and Aiyi Asnawi. "PENAPISAN VIRTUAL BERBASIS STRUKTUR DARI DATABASE BAHAN ALAM ZINC SEBAGAI INHIBITOR BRUTON TYROSINE KINASE." Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan 4, no. 2 (October 31, 2019): 400–409. http://dx.doi.org/10.36387/jiis.v4i2.354.

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Panagiotopoulos, Athanasios A., Konstantina Kalyvianaki, George Notas, Stergios A. Pirintsos, Elias Castanas, and Marilena Kampa. "New Antagonists of the Membrane Androgen Receptor OXER1 from the ZINC Natural Product Database." ACS Omega 6, no. 44 (October 28, 2021): 29664–74. http://dx.doi.org/10.1021/acsomega.1c04027.

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Murni, Indah K., Endy P. Prawirohartono, and Rina Triasih. "Potential Role of Vitamins and Zinc on Acute Respiratory Infections Including Covid-19." Global Pediatric Health 8 (January 2021): 2333794X2110217. http://dx.doi.org/10.1177/2333794x211021739.

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Background. Vitamin C, E, D, A, zinc are considered to be essential in preventing and treating of acute respiratory infections (ARI) including COVID-19. Methods. We reviewed published studies evaluating the potential roles of these vitamin and zinc for ARIs and COVID-19 using Medline database, medRxiv, and bibliographic references. Results. Vitamins C, D, and E did not reduce incidence of common cold in general, but vitamin C reduced by half in population with physical and environment stresses. Vitamins C and E shortened duration and reduced severity of common cold. A large-dose vitamin A had no effect on recovery from pneumonia. Zinc improved clinical deterioration and pneumonia duration in under five. The effect on preventing COVID-19 morbidity and related-death was lacking. Conclusions. Although the effects of vitamins and zinc on ARIs including COVID-19 were inconclusive, taking these for a short period during pandemic may be beneficial when there is risks of deficiency.

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Ireland, Sam M., and Andrew C. R. Martin. "Zincbindpredict—Prediction of Zinc Binding Sites in Proteins." Molecules 26, no. 4 (February 12, 2021): 966. http://dx.doi.org/10.3390/molecules26040966.

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Background: Zinc binding proteins make up a significant proportion of the proteomes of most organisms and, within those proteins, zinc performs rôles in catalysis and structure stabilisation. Identifying the ability to bind zinc in a novel protein can offer insights into its functions and the mechanism by which it carries out those functions. Computational means of doing so are faster than spectroscopic means, allowing for searching at much greater speeds and scales, and thereby guiding complimentary experimental approaches. Typically, computational models of zinc binding predict zinc binding for individual residues rather than as a single binding site, and typically do not distinguish between different classes of binding site—missing crucial properties indicative of zinc binding. Methods: Previously, we created ZincBindDB, a continuously updated database of known zinc binding sites, categorised by family (the set of liganding residues). Here, we use this dataset to create ZincBindPredict, a set of machine learning methods to predict the most common zinc binding site families for both structure and sequence. Results: The models all achieve an MCC ≥ 0.88, recall ≥ 0.93 and precision ≥ 0.91 for the structural models (mean MCC = 0.97), while the sequence models have MCC ≥ 0.64, recall ≥ 0.80 and precision ≥ 0.83 (mean MCC = 0.87), with the models for binding sites containing four liganding residues performing much better than this. Conclusions: The predictors outperform competing zinc binding site predictors and are available online via a web interface and a GraphQL API.

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Poláková, Šárka, and Miroslav Florián. "Balance and forms of zinc in soil and its uptake by plants." Acta Universitatis Agriculturae et Silviculturae Mendelianae Brunensis 54, no. 1 (2006): 59–70. http://dx.doi.org/10.11118/actaun200654010059.

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In this paper, zinc flows in arable soils of the Czech Republic and zinc fractions in arable soils are studied. Furthermore, a zinc uptake by agricultural plants is focused. Based on a database of the programme The basal soil monitoring system (BSMS) a static zinc balance for arable soils on the national level was assessed. This programme is carried out by The Central Institute for Supervising and Testing in Agriculture (CISTA) in Brno. As a representative for the zinc balance calculation, 121 monitoring plots were chosen. The Czech Republic net zinc fluxes ranged from –1250 g.ha– 1.y– 1 to +5595 g.ha– 1.y– 1, median +453 g.ha– 1.y– 1. The maximum zinc fluxes are typical of plots with manure applications. An atmospheric deposition is the most important input of zinc into arable soils. It makes 96,6% of the whole inputs. Leaching and run-off are neglected in this zinc balance by reason of missing credible data. The project Examination of zinc availability in dependence on its form in soil was established to provide more information about behavior of zinc in soil. The first step was starting a greenhouse pot experiment, which was focused on comparison of several extraction agents (AR, 2M HNO3, 0.43M HNO3, Mehlich III, DTPA, CAT, 1M NH4NO3, 0.01M CaCl2). Four soils with increasing zinc content were picked out for this experiment (Domanínek, Chrlice, Kutná Hora, Hlízov). Total zinc contents in these selected soils ranged from 156.8 to 583.7 ppm in dry matter (Aqua regia extraction). Contents in plants were in wide range from 20.7 to 273 ppm in dry matter according to the plant variety and used soil. Strong correlations between 0.43M HNO3, Mehlich III, DTPA and CAT were proved. Using of weaker extraction agents enabled to distinguish geogenic and anthropogenic origin of the contamination.

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Ahmed, Ziauddin. "Is zinc deficiency a worldwide problem and is there a silent epidemic in Saudi Arabia?" International Journal of Growth and Development 1, no. 1 (December 7, 2017): 36. http://dx.doi.org/10.25081/ijgd.2017.v1i1.37.

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Background: Zinc is an important trace mineral for our body, the deficiency of which can cause many complications like inadequate or stunted growth, immune deficiency with increased morbidity, etc. As per literature, in more severe cases, zinc deficiency causes hair loss, diarrhea, delayed sexual maturation, impotence, hypogonadism in males, and eye and skin lesions. Weight loss, delayed healing of wounds, taste abnormalities, and mental lethargy can also occur. Therefore, it is important that Zinc levels should be done especially when even any of the above nonspecific symptoms and signs are present. Zinc absorption is inhibited by phytates (seen in cereals, rice, corn, etc), cadmium (from environment), etc and this is an important factor to be considered apart from Zinc intake ,etc. A "best-estimate" model, comprised of zinc and phytate data from a composite nutrient database and International Zinc Nutrition Consultative Group physiological requirements for absorbed zinc, estimated the global prevalence of inadequate zinc intake to be 17.3%. Range varied from 12-66 % with different methodologies. Aim: To determine the prevalence of Zinc deficiency in the MEDICAL PROTOCOL DEPARTMENT- OUT-PATIENT CLINIC at King Fahad Hospital-National Guard Health Affairs-Riyadh, KSA. Methods: About 1000 patients of both genders between the ages of 15 -90 & above over a period of 6 months (in 2013) of our regular out-patient clinic were tested for Zinc deficiency irrespective of any signs or symptoms. Results: Out of 1000 patients about 440 (44%) patients were low in Zinc levels and treated for Zinc deficiency Conclusions: 1. There is a high prevalence of Zinc deficiency (44 %) in our outpatient clinic population at King Fahad Hospital. So, there is probably Zinc deficiency in greater numbers in the general population which should be addressed before it becomes an epidemic if there is not one already. 2. Most of the women with Zinc deficiency complained of hair loss. 3. Factors especially phytates that inhibit Zinc absorption should be considered and lower dietary phytates introduced in the foods we eat , especially for children.

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Côrtes Filho, Aldo Barbosa, Danyo Maia Lima, Pâmala Évelin Pires Cedro, Tátilla Putumujú Santana Mendes, Alana Caise dos Anjos Miranda, Maíra Mercês Barreto, Evely Rocha Lima, Baraquizio Braga do Nascimento Junior, and Gildomar Lima Valasques Junior. "In silico screening of brazilian semiarid compounds to identify potential drugs with glucocorticoid receptor interaction." Research, Society and Development 9, no. 9 (September 5, 2020): e734997865. http://dx.doi.org/10.33448/rsd-v9i9.7865.

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The glucocorticoid receptor regulates the anti-inflammatory response, and prevents transcription of anti-inflammatory substances such as nuclear factor kB and lipocortin-1, IL-2, IL-6, TNF and prostaglandins. Thus, a search for new molecules with potential interaction with the glucocorticoid receptor is an interesting strategy for the treatment of inflammatory diseases. Virtual screening has proven to be a viable tool for discovering new products at lower cost and practicality. Thus, the aim of this study is to identify and evaluate brazilian semiarid compounds with anti-inflammatory potential with glucocorticoid receptor action through molecular coupling. Protein selection was performed by searching the 3D structure database, Protein Data Bank. A total of 382 semi-arid molecules available in the ZINC database of State University of Feira de Santana (UEFS) were used. Molecular docking was performed using Autodock Vina and as interaction clouds analyzed by the Discovery Studio Visualizer program. Mometasone furoate shows a binding energy of -12.7 Kcal.mol-1. A ZINC 69481862 molecule fits Lipinski and Veber rules, however, the best interaction was the ZINC 69482012 molecule, evidenced by the binding energy -11.2 Kcal.mol-1. Analyses of intermolecular interactions have shown that Van der Waals interactions and electrostatic bonds are crucial for the binding of the molecule at the receptor's active site. It is necessary to test in vitro to verify the viability and toxicity of the potential drug.

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Emri, Eszter, Elod Kortvely, Sascha Dammeier, Franziska Klose, David Simpson, Anneke I. den Hollander, Marius Ueffing, and Imre Lengyel. "A Multi-Omics Approach Identifies Key Regulatory Pathways Induced by Long-Term Zinc Supplementation in Human Primary Retinal Pigment Epithelium." Nutrients 12, no. 10 (October 6, 2020): 3051. http://dx.doi.org/10.3390/nu12103051.

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In age-related macular degeneration (AMD), both systemic and local zinc levels decline. Elevation of zinc in clinical studies delayed the progression to end-stage AMD. However, the molecular pathways underpinning this beneficial effect are not yet identified. In this study, we used differentiated primary human fetal retinal pigment epithelium (RPE) cultures and long-term zinc supplementation to carry out a combined transcriptome, proteome and secretome analysis from three genetically different human donors. After combining significant differences, we identified the complex molecular networks using Database for Annotation, Visualization and Integrated Discovery (DAVID) and Ingenuity Pathway Analysis (IPA). The cell cultures from the three donors showed extensive pigmentation, development of microvilli and basal infoldings and responded to zinc supplementation with an increase in transepithelial electrical resistance (TEER) (apical supplementation: 443.2 ± 79.3%, basal supplementation: 424.9 ± 116.8%, compared to control: 317.5 ± 98.2%). Significant changes were observed in the expression of 1044 genes, 151 cellular proteins and 124 secreted proteins. Gene set enrichment analysis revealed changes in specific molecular pathways related to cell adhesion/polarity, extracellular matrix organization, protein processing/transport, and oxidative stress response by zinc and identified a key upstream regulator effect similar to that of TGFB1.

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Kurniati, Yessy. "KAJIAN PUSTAKA: PERAN ZINK PADA DEPRESI POSTPARTUM." Media Gizi Mikro Indonesia 9, no. 1 (December 20, 2018): 61–72. http://dx.doi.org/10.22435/mgmi.v9i1.1009.

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Latar Belakang. Kejadian depresi postpartum cukup tinggi di Indonesia. Berbagai faktor risiko diduga menjadi penyebab masalah tersebut, seperti misalnya faktor sosial dan faktor biologis. Salah satu faktor biologis yang penting adalah defisiensi berbagai mikronutrien. Zink merupakan salah satu mikronutrien yang diduga berperan pada terjadinya depresi postpartum. Tujuan. Melakukan tinjauan literatur artikel terkait depresi postpartum untuk memperjelas peran zink pada depresi postpartum. Metode. Penelusuran literatur dilakukan melalui mesin pencari Google Scholar dan database elektronik PubMed dan Clinical Key. Kata kunci zinc, seng, depresi, postpartum dan postpartum depression digunakan untuk melacak artikel penelitian asli maupun kajian pustaka pada jurnal nasional maupun internasional berbahasa Inggris, dan dapat diakses secara terbuka (open access). Kajian pustaka secara naratif (unsystematic narrative review) dilakukan untuk mensintesis informasi dari 69 artikel terpilih yang terdiri dari 7 artikel tentang depresi secara umum, 12 artikel tentang depresi postpartum, 35 artikel tentang fungsi, metabolisme dan defisiensi zink, serta 15 artikel tentang hubungan zink dan depresi postpartum. Hasil. Hasil yang diperoleh menunjukkan bahwa zink terbukti berhubungan dengan terjadinya depresi secara umum, baik pada hewan coba maupun manusia. Kesimpulan. Secara khusus zink juga berhubungan dengan terjadinya depresi postpartum melalui mekanisme keseimbangan glutamatergik (glutamatergic theory).

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Langlois, Theodore, Michael Carbajales-Dale, and Elizabeth Carraway. "Visualizing Relative Potential for Aquatic Ecosystem Toxicity Using the EPA Toxics Release Inventory and Life Cycle Assessment Methods." Journal of South Carolina Water Resources, no. 5 (June 1, 2018): 61–67. http://dx.doi.org/10.34068/jscwr.05.05.

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The U.S. EPA Toxic Release Inventory has been available since 1987 as a record of industrial releases of toxic chemicals following the 1986 Emergency Planning and Community Right-to-Know Act. Combining this release data with estimates of relative toxicity of these chemicals to aquatic systems increases the value of the database by providing a common basis for comparison. The Tool for Reduction and Assessment of Chemicals and Other Environmental Impacts is a database of characterization factors to assess environmental impacts. It was used to develop relative ecotoxicity impacts and interpreted using Life Cycle Assessment concepts. The visualization software Tableau was used to generate representations of the preliminary results in this communication. The major potential sources of aquatic toxicity have been identified for South Carolina by industry type and by year over the period 1987–2016. The possibility of toxicity from releases of zinc compounds from power generation and pulp and paper mills far exceeds all other sources. Zinc compounds dominated the potential ecotoxicity over the full time period 1987–2016.

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A. Hassaan, Engi, Sara C. Sigler, Tamer M. Ibrahim, Kevin J. Lee, Lauren K. Cichon, Bernard D. Gary, Joshua C. Canzoneri, Gary A. Piazza, and Ashraf H.Abadi. "Mining ZINC Database to Discover Potential Phosphodiesterase 9 Inhibitors Using Structure-Based Drug Design Approach." Medicinal Chemistry 12, no. 5 (June 23, 2016): 472–77. http://dx.doi.org/10.2174/1573406412666151204002836.

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Ahmed Ali Abdusalam, Ashraf, and Murugaiyah Vikneswaran. "Novel Acetylcholinesterase Inhibitors Identified from ZINC Database Using Docking‐Based Virtual Screening for Alzheimer's Disease." ChemistrySelect 5, no. 12 (March 31, 2020): 3593–99. http://dx.doi.org/10.1002/slct.201904177.

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