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Journal articles on the topic 'Study of structure-activity relationships'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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1

Boiani, Mariana, Hugo Cerecetto, and Mercedes González. "Cytotoxicity of furoxans: quantitative structure-activity relationships study." Il Farmaco 59, no. 5 (2004): 405–12. http://dx.doi.org/10.1016/j.farmac.2003.12.011.

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2

Hasegawa, Kiyoshi, Mitsuteru Hirata, Tomoyuki Koshi, et al. "Quantitative structure-activity relationships study of endothelin-1 analogs." Bioorganic & Medicinal Chemistry Letters 4, no. 9 (1994): 1157–60. http://dx.doi.org/10.1016/s0960-894x(01)80247-x.

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3

Shannon, Edward J., Melvyn J. Morales, and Felipe Sandoval. "Immunomodulatory assays to study structure-activity relationships of thalidomide." Immunopharmacology 35, no. 3 (1997): 203–12. http://dx.doi.org/10.1016/s0162-3109(96)00149-x.

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4

Arroyo-Currás, Netzahualcoyotl, and Marcelo F. Videa. "Electrochemical Study of Flavonoids in Acetonitrile: Structure-Activity Relationships." ECS Transactions 29, no. 1 (2019): 349–59. http://dx.doi.org/10.1149/1.3532331.

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5

SUZUKI, Kunio, Jun NAGURA, Kenji SHIRATORI, et al. "Study of the structure-activity relationships of new dihydropyridine derivatives." Journal of Pharmacobio-Dynamics 12, no. 5 (1989): 293–98. http://dx.doi.org/10.1248/bpb1978.12.293.

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6

Bienvenu, Glinma, Medegan Sedami, Yayi Eleonore, et al. "LIPOPHILIC AND STRUCTURE ACTIVITY RELATIONSHIPS STUDY OF THIOSEMICARBAZONES AND DERIVATIVES." International Journal of Advanced Research 7, no. 11 (2019): 29–40. http://dx.doi.org/10.21474/ijar01/9971.

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7

Me´reau, Raphaël, Marie-The´rèse Rayez, Françoise Caralp, and Jean-Claude Rayez. "Theoretical study of alkoxyl radical decomposition reactions: structure–activity relationships." Physical Chemistry Chemical Physics 2, no. 17 (2000): 3765–72. http://dx.doi.org/10.1039/b003993o.

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8

Naha, Pratap C., Maria Davoren, Alan Casey, and Hugh J. Byrne. "An Ecotoxicological Study ofPoly(amidoamine)Dendrimers-Toward Quantitative Structure Activity Relationships." Environmental Science & Technology 43, no. 17 (2009): 6864–69. http://dx.doi.org/10.1021/es901017v.

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9

Altun, Ahmet, Kurtulus Golcuk, Mustafa Kumru, and Abraham F. Jalbout. "Electron-conformational study for the structure–hallucinogenic activity relationships of phenylalkylamines." Bioorganic & Medicinal Chemistry 11, no. 18 (2003): 3861–68. http://dx.doi.org/10.1016/s0968-0896(03)00437-1.

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10

Méreau, Raphaël, Marie-Thérèse Rayez, Françoise Caralp, and Jean-Claude Rayez. "Isomerisation reactions of alkoxy radicals: theoretical study and structure–activity relationships." Phys. Chem. Chem. Phys. 5, no. 21 (2003): 4828–33. http://dx.doi.org/10.1039/b307708j.

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11

Gupta, Rameshwar L., Nripendra K. Royt, and Chandrahas. "Quantitative structure-activity relationships study of fungicidalO,O-diarylS-ethyl phosphorothioates." Pesticide Science 22, no. 2 (1988): 139–44. http://dx.doi.org/10.1002/ps.2780220205.

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12

Yoon, C. N. "Structure-activity relationships study of angiotensin-converting enzyme inhibitor captopril derivatives." Journal of Molecular Graphics 11, no. 4 (1993): 283. http://dx.doi.org/10.1016/0263-7855(93)80062-v.

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13

Jäntschi, Lorentz, Sorana D. Bolboacă, and Radu E. Sestraş. "Meta-heuristics on quantitative structure-activity relationships: study on polychlorinated biphenyls." Journal of Molecular Modeling 16, no. 2 (2009): 377–86. http://dx.doi.org/10.1007/s00894-009-0540-z.

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14

Nangia, A., P. S. Chandrakala, M. V. Balaramakrishna та T. V. A. Latha. "AM1 study of structure-activity relationships in bicyclic aza-β-lactams". Journal of Molecular Structure: THEOCHEM 343 (листопад 1995): 157–65. http://dx.doi.org/10.1016/0166-1280(95)90547-2.

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15

Vuckovic, S., M. Prostran, M. Ivanovic, et al. "Fentanyl Analogs: Structure-Activity-Relationship Study." Current Medicinal Chemistry 16, no. 19 (2009): 2468–74. http://dx.doi.org/10.2174/092986709788682074.

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16

Ifrah, Dan, Xavier Doisy, Trine S. Ryge, and Paul R. Hansen. "Structure-activity relationship study of anoplin." Journal of Peptide Science 11, no. 2 (2005): 113–21. http://dx.doi.org/10.1002/psc.598.

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17

Le, Tho Huu, Hai Xuan Nguyen та Mai Thi Thanh Nguyen. "Study on structure–activity relationships (SARs) of epoxylignan compounds with α- glucosidase inhibitory activity". Science and Technology Development Journal - Natural Sciences 1, T5 (2018): 110–15. http://dx.doi.org/10.32508/stdjns.v1it5.542.

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Epoxylignans are polyphenolic compounds, which possess various biological activities such as antiproliferative activity on cancer cells, antioxidant, antihyperglycemic,… In this research, we study on α- glucosidase inhibitory activity of 11 epoxylignans isolated from the stem of Artocarpus heterophyllus, the stem of Willughbeia cochinchinensis, the stem bark of Crateva religiosa, and the propolis of Trigona minor. The results showed that, compounds 1–4 and 7–10 were more potent inhibitory activity than that of positive control acarbose (IC50, 214.5 µM). Based on the results, their structure-ac

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18

Zhang, Wenxuan, Jun Wu, Bo Li, et al. "Structure–activity & structure–toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives." Organic & Biomolecular Chemistry 14, no. 10 (2016): 2840–45. http://dx.doi.org/10.1039/c5ob02303c.

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19

Xia, Liang-Yong, Qing-Yong Wang, Zehong Cao, and Yong Liang. "Descriptor Selection Improvements for Quantitative Structure-Activity Relationships." International Journal of Neural Systems 29, no. 09 (2019): 1950016. http://dx.doi.org/10.1142/s0129065719500163.

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Molecular descriptor selection is an essential procedure to improve a predictive quantitative structure–activity relationship (QSAR) model. However, within the QSAR model, there are a number of redundant, noisy and irrelevant descriptors. In this study, we propose a novel descriptor selection framework using self-paced learning (SPL) via sparse logistic regression (LR) with Logsum penalty (SPL-Logsum), which can simultaneously adaptively identify the simple and complex samples and avoid over-fitting. SPL is inspired by the learning process of humans or animals gradually learned from simple and

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20

Gülçin, İlhami. "Antioxidant Activity of Eugenol: A Structure–Activity Relationship Study." Journal of Medicinal Food 14, no. 9 (2011): 975–85. http://dx.doi.org/10.1089/jmf.2010.0197.

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21

Thenmozhiyal, Jeyanthi Chinnappa, Peter Tsun-Hon Wong, and Wai-Keung Chui. "Anticonvulsant Activity of Phenylmethylenehydantoins: A Structure−Activity Relationship Study." Journal of Medicinal Chemistry 47, no. 6 (2004): 1527–35. http://dx.doi.org/10.1021/jm030450c.

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22

Wawer, Mathias J., David E. Jaramillo, Vlado Dančík, et al. "Automated Structure–Activity Relationship Mining." Journal of Biomolecular Screening 19, no. 5 (2014): 738–48. http://dx.doi.org/10.1177/1087057114530783.

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Understanding the structure–activity relationships (SARs) of small molecules is important for developing probes and novel therapeutic agents in chemical biology and drug discovery. Increasingly, multiplexed small-molecule profiling assays allow simultaneous measurement of many biological response parameters for the same compound (e.g., expression levels for many genes or binding constants against many proteins). Although such methods promise to capture SARs with high granularity, few computational methods are available to support SAR analyses of high-dimensional compound activity profiles. Man

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23

Raju, B., Ilya Okun, Fiona Stavros, and Ming Fai Chan. "Search for surrogates: A study of endothelin receptor antagonist structure activity relationships." Bioorganic & Medicinal Chemistry Letters 7, no. 7 (1997): 933–38. http://dx.doi.org/10.1016/s0960-894x(97)00132-7.

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24

Kadam, Shashikant A., and Mariya V. Shamzhy. "IR Operando Study of Ethanol Dehydration over MFI Zeolites: Structure–Activity Relationships." Journal of Physical Chemistry C 122, no. 42 (2018): 24055–67. http://dx.doi.org/10.1021/acs.jpcc.8b05697.

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25

OBATA, RIKA, TOSHIAKI SUNAZUKA, YOSHIHIRO HARIGAYA, et al. "Structure-activity Relationships Study of Pyripyropenes. Reversal of Cancer Cell Multidrug Resistance." Journal of Antibiotics 53, no. 4 (2000): 422–25. http://dx.doi.org/10.7164/antibiotics.53.422.

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26

HAGAN, D. B., D. T. PARROTT, and A. P. TAYLOR. "A study of the structure-activity relationships present in skin active agents." International Journal of Cosmetic Science 15, no. 4 (2010): 163–73. http://dx.doi.org/10.1111/j.1468-2494.1993.tb00596.x.

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27

Casu, Benito, Annamaria Naggi, and Giangiacomo Torri. "Chemical Derivatization as a Strategy to Study Structure-Activity Relationships of Glycosaminoglycans." Seminars in Thrombosis and Hemostasis 28, no. 4 (2002): 335–42. http://dx.doi.org/10.1055/s-2002-34302.

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28

Selwood, David L., David J. Livingstone, John C. W. Comley, et al. "Structure-activity relationships of antifilarial antimycin analogs: a multivariate pattern recognition study." Journal of Medicinal Chemistry 33, no. 1 (1990): 136–42. http://dx.doi.org/10.1021/jm00163a023.

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29

Foroumadi, Alireza, Saeed Emami, Saeed Rajabalian, Marziyeh Badinloo, Negar Mohammadhosseini, and Abbas Shafiee. "N-Substituted piperazinyl quinolones as potential cytotoxic agents: Structure–activity relationships study." Biomedicine & Pharmacotherapy 63, no. 3 (2009): 216–20. http://dx.doi.org/10.1016/j.biopha.2008.01.016.

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30

Yongye, Austin B., and José L. Medina-Franco. "Systematic characterization of structure–activity relationships and ADMET compliance: a case study." Drug Discovery Today 18, no. 15-16 (2013): 732–39. http://dx.doi.org/10.1016/j.drudis.2013.04.002.

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31

Kalirajan, R., K. Gaurav, A. Pandiselvi, B. Gowramma, and S. Sankar. "Novel Thiazine Substituted 9-Anilinoacridines: Synthesis, Antitumour Activity and Structure Activity Relationships." Anti-Cancer Agents in Medicinal Chemistry 19, no. 11 (2019): 1350–58. http://dx.doi.org/10.2174/1871520619666190408134224.

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Background: 9-anilinoacridines are acting as DNA-intercalating agents which plays an important role as antitumor drugs, due to their anti-proliferative properties. Some anticancer agents contain 9- anilinoacridines such as amsacrine (m-AMSA), and nitracrine (Ledakrine) have been already developed. Methods: In this study, novel 9-anilinoacridines substituted with thiazines 4a-r were designed, synthesized, characterized by physical and spectral data and their cytotoxic activities against DLA cell lines were evaluated. Results: Among those compounds, 4b, c, e, g, i, j, k, m, o, p, q, r exhibited

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32

Hasdenteufel, Frédéric, Samuel Luyasu, Jean-Marie Renaudin, Philippe Trechot, and Gisèle Kanny. "Anaphylactic Shock Associated with Cefuroxime Axetil: Structure—Activity Relationships." Annals of Pharmacotherapy 41, no. 6 (2007): 1069–72. http://dx.doi.org/10.1345/aph.1k050.

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OBJECTIVE: To present a predictive model of allergenicity based on a structure– activity relationship analysis of β-lactam antibiotics using appropriate skin testing procedures. CASE SUMMARY: A 39-year-old woman was diagnosed with anaphylactic shock a few minutes after taking a 500 mg tablet cefuroxime of axetil and was admitted to the emergency department with dizziness, facial angioedema, generalized skin rash, and inferior cardiac ischemia. Skin testing confirmed the involvement of cefuroxime as the cause of the anaphylactic reaction, and the reaction was defined as probable according to th

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33

Usmanov, Durbek, Bakhtiyor Rasulev, Vladimir Syrov, Ugiloy Yusupova, and Nurmurod Ramazonov. "Structure-Hepatoprotective Activity Relationship Study of Iridoids." International Journal of Quantitative Structure-Property Relationships 5, no. 3 (2020): 108–18. http://dx.doi.org/10.4018/ijqspr.20200701.oa3.

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Iridoids, the largest class of monoterpenoids, are widespread group of substances present in various plant organisms. This study is devoted to investigation of the hepatoprotective activity of a series of iridoid compounds with application of a quantitative structure-activity relationship (QSAR) analysis. The investigated activity was based on in vitro experimental data, where iridoids' effects on CCl4-induced hepatocytes' damage were obtained. The QSAR analysis was carried out using a combination of genetic algorithm for variable selection and multiple linear regression analysis. A set of cal

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34

Oh, J. E., S. Y. Hong, and K. H. Lee. "Structure-activity relationship study: short antimicrobial peptides." Journal of Peptide Research 53, no. 1 (1999): 41–46. http://dx.doi.org/10.1111/j.1399-3011.1999.tb01615.x.

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35

Rochat, H. "Scorpion neurotoxins: a structure-activity relationship study." Toxicon 34, no. 6 (1996): 625. http://dx.doi.org/10.1016/0041-0101(96)89137-9.

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36

de Oliveira, Aldo S., Luiz F. S. de Souza, Ricardo J. Nunes, et al. "Antioxidant and Antibacterial Activity of Sulfonamides Derived from Carvacrol: A Structure-Activity Relationship Study." Current Topics in Medicinal Chemistry 20, no. 3 (2020): 173–81. http://dx.doi.org/10.2174/1568026619666191127144336.

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Background: Bacterial resistance to antibiotics is a growing problem in all countries and has been discussed worldwide. In this sense, the development of new drugs with antibiotic properties is highly desirable in the context of medicinal chemistry. Methodology: In this paper we investigate the antioxidant and antibacterial potential of sulfonamides derived from carvacrol, a small molecule with drug-like properties. Most sulfonamides had antioxidant and antibacterial potential, especially compound S-6, derived from beta-naphthylamine. Result: To understand the possible mechanisms of action inv

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37

Gao, Yuting, Honglin Zhai, Xilin She, and Hongzong Si. "Quantitative Structure-activity Relationships; Studying the Toxicity of Metal Nanoparticles." Current Topics in Medicinal Chemistry 20, no. 27 (2020): 2506–17. http://dx.doi.org/10.2174/1568026620666200722112113.

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Background: Metal nanomaterials are widely used in various fields, including targeted therapy and diagnosis. They are extensively used in targeted drug delivery and local treatments. However, the toxicity associated with these materials could lead to severe adverse health effects. Methods: In this study, we investigated the relationships between the toxicity and structures of metal nanoparticles by using theoretical calculations and quantitative structure-activity relationships. Twenty four physicochemical descriptors and toxicity data of 23 types of metal nanoparticles were selected as sample

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38

Voller, Jiří, Marek Zatloukal, René Lenobel, et al. "Anticancer activity of natural cytokinins: A structure–activity relationship study." Phytochemistry 71, no. 11-12 (2010): 1350–59. http://dx.doi.org/10.1016/j.phytochem.2010.04.018.

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39

Brzezińska, Elżbieta, and Grażyna Kośka. "A structure–activity relationship study of compounds with antihistamine activity." Biomedical Chromatography 20, no. 10 (2006): 1004–16. http://dx.doi.org/10.1002/bmc.621.

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40

JASIM, Ekhlas Q., Hawraa K. DHAIF, and Munther A. MUHAMMAD-ALI. "SYNTHESIS, CHARACTERIZATION, ANTIFUNGAL ACTIVITY AND STRUCTURE– ACTIVITY RELATIONSHIPS: STUDY OF SOME MONO- AND DI-SCHIFF BASES." Periódico Tchê Química 17, no. 34 (2020): 528–40. http://dx.doi.org/10.52571/ptq.v17.n34.2020.552_p34_pgs_528_540.pdf.

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Schiff bases (SB) are an important type of organic compounds and have a wide range of biological activities due to commercial and pharmaceutical trading uses. The different activities of these compounds induced the researchers to synthesized and studied new types of these compounds. Two series of Schiff base derivatives were synthesized by the condensation reactions of substituted aldehydes salicylaldehyde, 4-(N,Ndimethylamino) benzaldehyde or 2,4-dimethoxybenzaldehyde with 2-amino-5-iodobenzoic acid (1:1) or with 3,5- diamenobenzoic acid (1:2) in ethanol absolute as a solvent. Different analy

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41

Dings, Ruud P. M., Judith R. Haseman та Kevin H. Mayo. "Probing structure–activity relationships in bactericidal peptide βpep-25". Biochemical Journal 414, № 1 (2008): 143–50. http://dx.doi.org/10.1042/bj20080506.

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Cationic peptides, known to disrupt bacterial membranes, are being developed as promising agents for therapeutic intervention against infectious disease. In the present study, we investigate structure–activity relationships in the bacterial membrane disruptor βpep-25, a peptide 33-mer. For insight into which amino acid residues are functionally important, we synthesized alanine-scanning variants of βpep-25 and assessed their ability to kill bacteria (Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus) and to neutralize LPS (lipopolysaccharide). Activity profiles were found to v

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42

Saracoglu, M., and F. Kandemirli. "The Structure-AChE Inhibitory Activity Relationships Study in a Series of Pyridazine Analogues." Medicinal Chemistry 5, no. 4 (2009): 325–35. http://dx.doi.org/10.2174/157340609788681511.

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43

LEMAITRE, Nadine, Isabelle CALLEBAUT, Frédéric FRENOIS, Vincent JARLIER, and Wladimir SOUGAKOFF. "Study of the structure‒activity relationships for the pyrazinamidase (PncA) from Mycobacterium tuberculosis." Biochemical Journal 353, no. 3 (2001): 453. http://dx.doi.org/10.1042/0264-6021:3530453.

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44

LEMAITRE, Nadine, Isabelle CALLEBAUT, Frédéric FRENOIS, Vincent JARLIER, and Wladimir SOUGAKOFF. "Study of the structure–activity relationships for the pyrazinamidase (PncA) from Mycobacterium tuberculosis." Biochemical Journal 353, no. 3 (2001): 453–58. http://dx.doi.org/10.1042/bj3530453.

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In an attempt to investigate the molecular basis of pyrazinamide hydrolysis by the PncA protein from Mycobacterium tuberculosis, we determined the pyrazinamidase activity of nine PncA mutants bearing a single amino acid substitution. Among them, three mutants (D8G, K96T and S104R) had virtually no activity (⩽ 0.004unit/mg), five (F13S, T61P, P69L, Y103S and A146V) retained a low level of activity (0.06–0.25unit/mg) and one (T167L) exhibited a wild-type activity (1.51units/mg). The possible structural effects of these substitutions were assessed by analysing a three-dimensional model of the Pnc

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45

Mukherjee, Sourav Prasanna, Maria Davoren, and Hugh J. Byrne. "In vitro mammalian cytotoxicological study of PAMAM dendrimers – Towards quantitative structure activity relationships." Toxicology in Vitro 24, no. 1 (2010): 169–77. http://dx.doi.org/10.1016/j.tiv.2009.09.014.

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46

Yang, J., W. Q. Yang, Y. Y. Zhang, Y. Ma, and M. L. Ma. "Synthesis and DFT-Based Quantitative Structure-Activity Relationships Study for Diphenyl Ethers Bactericide." Asian Journal of Chemistry 25, no. 15 (2013): 8574–78. http://dx.doi.org/10.14233/ajchem.2013.14845.

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47

Ordoudi, Stella A., Maria Z. Tsimidou, Anastasios P. Vafiadis, and Evangelos G. Bakalbassis. "Structure−DPPH•Scavenging Activity Relationships: Parallel Study of Catechol and Guaiacol Acid Derivatives." Journal of Agricultural and Food Chemistry 54, no. 16 (2006): 5763–68. http://dx.doi.org/10.1021/jf060132x.

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48

Shao, Yong, Hong Ding, Weidong Tang, Liguang Lou, and Lihong Hu. "Synthesis and structure–activity relationships study of novel anti-tumor carbamate anhydrovinblastine analogues." Bioorganic & Medicinal Chemistry 15, no. 15 (2007): 5061–75. http://dx.doi.org/10.1016/j.bmc.2007.05.045.

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49

Jacques, N., E. Goffin, L. Musumeci, B. Pirotte, C. Oury, and P. Lancellotti. "From the antiplatelet drug ticagrelor to antibiotics: A study of structure-activity relationships." Archives of Cardiovascular Diseases Supplements 12, no. 2-4 (2020): 203–4. http://dx.doi.org/10.1016/j.acvdsp.2020.03.012.

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50

Kadi, Adnan A., Kamal E. H. El-Tahir, Yurngdong Jahng, and A. F. M. Motiur Rahman. "Synthesis, biological evaluation and Structure Activity Relationships (SARs) study of 8-(substituted)aryloxycaffeine." Arabian Journal of Chemistry 12, no. 8 (2019): 2356–64. http://dx.doi.org/10.1016/j.arabjc.2015.02.021.

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