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Journal articles on the topic 'Structure-activity relationship'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Muhammad, Imran Qadir. "Recent Structure Activity Relationship Studies of 1,4-Benzodiazepines." Open Journal of Chemistry 1, no. 1 (2015): 008–12. https://doi.org/10.17352/ojc.000002.

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Structure activity relationship studies of 1,4-benzodiazepines have been discussed especially with their effects as antianxiety and anticonvulsants. The currently available benzodiazepines are associated with various side effects. Nowadays the purpose of these studies is to minimize side effects with these drugs. A very little alteration is possible on the benzene ring while the modification can be done on the diazepine ring. It can adopt the different conformations and in some cases some aromatic and heterocyclic rings have been fused with this part in order to see the effect of these conform

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2

Weng, X. C., and Y. Huang. "Relationship structure-antioxidant activity of hindered phenolic compounds." Grasas y Aceites 65, no. 4 (2014): e051. http://dx.doi.org/10.3989/gya.0225141.

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3

Awad, Mohamed K., Saida A. El-Enien, and Mohammed H. Rizk. "Quantitative Structure-Trypanocidal Activity Relationship Analysis of Phenothiazine Derivatives." Indian Journal of Applied Research 3, no. 9 (2011): 65–68. http://dx.doi.org/10.15373/2249555x/sept2013/20.

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4

NAKAGAWA, Yoshiaki. "Quantitative Structure-Activity Relationship." Japanese Journal of Pesticide Science 38, no. 1 (2013): 1. http://dx.doi.org/10.1584/jpestics.w12-39.

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5

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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6

Nagamurthi, G., and S. Rambhav. "Gramicidin-S: Structure-activity relationship." Journal of Biosciences 7, no. 3-4 (1985): 323–29. http://dx.doi.org/10.1007/bf02716794.

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7

oa^Ribeiro, F. Ram, F. Alvarez, C. Henriques, F. Lemos, J. M. Lopes, and M. F. Ribeiro. "Structure-activity relationship in zeolites." Journal of Molecular Catalysis A: Chemical 96, no. 3 (1995): 245–70. http://dx.doi.org/10.1016/1381-1169(94)00058-1.

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8

Almi, Zineb, Salah Belaidi, Nadjib Melkemi, Salima Boughdiri, and Lotfi Belkhiri. "Structure Activity Relationship and Quantitative Structure-Activity Relationships Modeling of Cyto-Toxicity of Phenothiazine Derivatives." Quantum Matter 5, no. 1 (2016): 124–29. http://dx.doi.org/10.1166/qm.2016.1264.

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9

Wawer, Mathias, Lisa Peltason, Nils Weskamp, Andreas Teckentrup, and Jürgen Bajorath. "Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices." Journal of Medicinal Chemistry 51, no. 19 (2008): 6075–84. http://dx.doi.org/10.1021/jm800867g.

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10

Belaidi, Salah, Toufik Salah, Nadjib Melkemi, Leena Sinha, and Onkar Prasad. "Structure Activity Relationship and Quantitative Structure-Activity Relationships Modeling of Antitrypanosomal Activities of Alkyldiamine Cryptolepine Derivatives." Journal of Computational and Theoretical Nanoscience 12, no. 9 (2015): 2421–27. http://dx.doi.org/10.1166/jctn.2015.4042.

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11

T., Shubhavathi1 Raghu Ram Achar2 B.S. Priya1*. "3-BENZAZEPINONE DERIVATIVES: ANTIOXIDANT ACTIVITY AND ITS STRUCTURE ACTIVITY RELATIONSHIP (SAR) STUDIES." INDO AMERICAN JOURNAL OF PHARMACEUTICAL RESEARCH 07, no. 01 (2017): 7415–19. https://doi.org/10.5281/zenodo.1006933.

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A series of 3-benzazepinone (3-BZ) derivatives were tested for their in vitro antioxidant efficacy by DPPH and LPO assays and compared with standard Butylated Hydroxyl Anisole (BHA). The derivatives containing electron donating groups viz., OH, OCH3 were found to be good antioxidants compared to BHA. While, the compounds containing electron withdrawing moiety viz., NO2, Cl, Br, and F were found to be less active compared to standard BHA. The structure activity relationship studies suggest that the electron donating moieties majorly contribute to the anti-oxidant property of the potent compound

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12

Topal, Fevzi, Meryem Nar, Hulya Gocer, et al. "Antioxidant activity of taxifolin: an activity–structure relationship." Journal of Enzyme Inhibition and Medicinal Chemistry 31, no. 4 (2015): 674–83. http://dx.doi.org/10.3109/14756366.2015.1057723.

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13

Wassermann, Anne Mai, Mathias Wawer, and Jürgen Bajorath. "Activity Landscape Representations for Structure−Activity Relationship Analysis." Journal of Medicinal Chemistry 53, no. 23 (2010): 8209–23. http://dx.doi.org/10.1021/jm100933w.

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14

Renaud, Justin B., Natasha DesRochers, Shawn Hoogstra, Christopher P. Garnham, and Mark W. Sumarah. "Structure Activity Relationship for Fumonisin Phytotoxicity." Chemical Research in Toxicology 34, no. 6 (2021): 1604–11. http://dx.doi.org/10.1021/acs.chemrestox.1c00057.

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15

Tong, Weida, William J. Welsh, Leming Shi, Hong Fang, and Roger Perkins. "STRUCTURE–ACTIVITY RELATIONSHIP APPROACHES AND APPLICATIONS." Environmental Toxicology and Chemistry 22, no. 8 (2003): 1680. http://dx.doi.org/10.1897/01-198.

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16

Mann, Mandeep K., Carlos A. Zepeda-Velázquez, Héctor González-Álvarez, et al. "Structure–Activity Relationship of USP5 Inhibitors." Journal of Medicinal Chemistry 64, no. 20 (2021): 15017–36. http://dx.doi.org/10.1021/acs.jmedchem.1c00889.

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17

Benetollo, F., G. Bombieri, A. Del Pra, and L. Mosti. "Structure–activity relationship in furocoumarin derivatives." Acta Crystallographica Section A Foundations of Crystallography 43, a1 (1987): C49. http://dx.doi.org/10.1107/s0108767387084204.

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18

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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19

Murai, Akio, Masakazu Ohkita, Teruki Honma, et al. "Structure-activity Relationship of Glycinoeclepin A." Chemistry Letters 21, no. 11 (1992): 2103–4. http://dx.doi.org/10.1246/cl.1992.2103.

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20

Gallagher, J. T. "Structure-activity relationship of heparan sulphate." Biochemical Society Transactions 25, no. 4 (1997): 1206–9. http://dx.doi.org/10.1042/bst0251206.

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21

OHYAMA, Makoto, Yumiko OKADA, Masaaki TAKAHASHI, Osamu SAKANAKA, Maki MATSUMOTO, and Kunio ATSUMI. "Structure-Activity Relationship of Anthelmintic Cyclooctadepsipeptides." Bioscience, Biotechnology, and Biochemistry 75, no. 7 (2011): 1354–63. http://dx.doi.org/10.1271/bbb.110129.

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22

LI, Nian-Guang, Qi-Dong YOU, Xue-Feng HUANG, et al. "Structure-activity Relationship of Gambogic Acid." Chinese Journal of Natural Medicines 6, no. 1 (2008): 37–42. http://dx.doi.org/10.1016/s1875-5364(09)60003-0.

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23

Maji, Samir K., Lei Wang, Jason Greenwald, and Roland Riek. "Structure-activity relationship of amyloid fibrils." FEBS Letters 583, no. 16 (2009): 2610–17. http://dx.doi.org/10.1016/j.febslet.2009.07.003.

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24

Ávila, Hugo Pereira, Elza de Fátima Albino Smânia, Franco Delle Monache, and Artur Smânia. "Structure–activity relationship of antibacterial chalcones." Bioorganic & Medicinal Chemistry 16, no. 22 (2008): 9790–94. http://dx.doi.org/10.1016/j.bmc.2008.09.064.

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25

Bonafoux, Dominique F., Sheri L. Bonar, Michael Clare, et al. "Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship." Bioorganic & Medicinal Chemistry 18, no. 1 (2010): 403–14. http://dx.doi.org/10.1016/j.bmc.2009.10.040.

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26

Li, Hongwei, Zhigang Tang, Zhimin He, Xia Gui, Longpeng Cui, and Xian-zhong Mao. "Structure-activity relationship for CO2 absorbent." Energy 197 (April 2020): 117166. http://dx.doi.org/10.1016/j.energy.2020.117166.

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27

Wissel, Gloria, Pavel Kudryavtsev, Feng Deng, Peter Wipf, Henri Xhaard, and Heidi Kidron. "Structure-activity relationship of ABCC2 inhibitors." Drug Metabolism and Pharmacokinetics 32, no. 1 (2017): S103—S104. http://dx.doi.org/10.1016/j.dmpk.2016.10.394.

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28

Liu, Si-Yu, and Diane M. Sylvester. "Antiplatelet structure-activity relationship of tetramethylpyrazine." Life Sciences 55, no. 17 (1994): 1317–26. http://dx.doi.org/10.1016/0024-3205(94)00764-0.

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29

Ramu, A., and N. Ramu. "Structure activity relationship of multidrug reversal." European Journal of Cancer 29 (January 1993): S18. http://dx.doi.org/10.1016/0959-8049(93)90692-9.

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30

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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31

Santos, Cleydson Breno Rodrigues dos, Cleison Carvalho Lobato, Marcos Alexandre Costa de Sousa, Williams Jorge da Cruz Macêdo, and José Carlos Tavares Carvalho. "Molecular Modeling: Origin, Fundamental Concepts and Applications Using Structure-Activity Relationship and Quantitative Structure-Activity Relationship." Reviews in Theoretical Science 2, no. 2 (2014): 91–115. http://dx.doi.org/10.1166/rits.2014.1016.

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32

Ning, Xia, Huzefa Rangwala, and George Karypis. "Multi-Assay-Based Structure−Activity Relationship Models: Improving Structure−Activity Relationship Models by Incorporating Activity Information from Related Targets." Journal of Chemical Information and Modeling 49, no. 11 (2009): 2444–56. http://dx.doi.org/10.1021/ci900182q.

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33

Anup, Parmar, Patle Manoj, Bisen Chandrakant, Patle Rajkumar, Katre Lalit, and Bhagat Gajadhar. "SYNTHESIS, REGRESSION ANALYSIS, DOCKING STUDIES OF ISONIAZID-BASED COMPOUNDS AS ANTI-TUBERCULOSIS THERAPEUTIC AGENTS." Journal of Applied Biological Sciences 17, no. 2 (2023): 208–20. https://doi.org/10.5281/zenodo.8018824.

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In the drug-design process, a structure-activity relationship is a method for the estimation of the biological activity of the newly designed unknown molecules by using regression analysis. This method aims to develop a mathematical relationship between the structural features of molecules (descriptors) and the property of interest, i.e. biological activity based on reference molecules. Based on this relationship, biological activity can be predicted for newly designed molecules. Initially, the molecules with known biological activities were considered as a Training set for regression analysis

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34

MIURA, Toshihiro, Yumi NISHIYAMA, Momoyo ICHIMARU, Masataka MORIYASU, and Atsushi KATO. "HYPOGLYCEMIC ACTIVITY AND STRUCTURE-ACTIVITY RELATIONSHIP OF IRIDOIDAL GLYCOSIDES." Biological & Pharmaceutical Bulletin 19, no. 1 (1996): 160–61. http://dx.doi.org/10.1248/bpb.19.160.

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35

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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36

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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37

Xu, Kun, Zhan Shu, Qiong-Ming Xu, et al. "Cytotoxic activity ofPulsatilla chinensissaponins and their structure–activity relationship." Journal of Asian Natural Products Research 15, no. 6 (2013): 680–86. http://dx.doi.org/10.1080/10286020.2013.790901.

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38

Hu, J. P., M. Calomme, A. Lasure, et al. "Structure-activity relationship of flavonoids with superoxide scavenging activity." Biological Trace Element Research 47, no. 1-3 (1995): 327–31. http://dx.doi.org/10.1007/bf02790134.

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39

Avato, Pinarosa, Rossella Bucci, Aldo Tava, et al. "Antimicrobial activity of saponins fromMedicago sp.: structure-activity relationship." Phytotherapy Research 20, no. 6 (2006): 454–57. http://dx.doi.org/10.1002/ptr.1876.

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40

Preet, Gagan, Ahlam Haj Hasan, Piteesha Ramlagan, Shameem Fawdar, Fabien Boulle, and Marcel Jaspars. "Anti-Neurodegenerating Activity: Structure–Activity Relationship Analysis of Flavonoids." Molecules 28, no. 20 (2023): 7188. http://dx.doi.org/10.3390/molecules28207188.

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An anti-neurodegeneration activity study was carried out for 80 flavonoid compounds. The structure–activity analysis of the structures was carried out by performing three different anti-neurodegeneration screening tests, showing that in these structures, the presence of a hydroxy substituent group at position C3′ as well as C5′ of ring B and a methoxy substituent group at the C7 position of ring A play a vital role in neuroprotective and antioxidant as well as anti-inflammatory activity. Further, we found structure (5) was the top-performing active structure out of 80 structures. Subsequently,

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41

Mukesh, Bugalia, B. Puranik Sangamesh, Saraswat Rohit, Jhajharia Mahesh, and Sharma Prashant. "Synthesis of Thiazoles and 1,3,4-Thiadiazoles Bearing Spectral Studies, Biological Evaluation and Structure Activity relationship." International Journal of Engineering Research & Science 6, no. 7 (2020): 21–33. https://doi.org/10.5281/zenodo.4095165.

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<strong>Abstract</strong><strong>—</strong> A novel series of thiazole based-1,3,4-thiadiazoles were designed and prepared via the reaction of the 2-(4-methyl-2-phenylthiazole-5-carbonyl)-N-phenylhydrazinecarbothioamide with the appropriate hydrazonoyl chlorides. The structures of the newly synthesized compounds were established based on spectroscopic evidences and their alternative syntheses. Thirteen new 1,3,4-thiadiazoles have been evaluated for their anticancer activity against liver carcinoma cell line (HepG2). Also, their structure activity relationship (SAR) was studied. The 1,3,4

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42

A., K. Srivastava, Archana, and Jaiswal Meetu. "Quantitative structure activity relationship studies on a series of 1,3-diaryl-4,5,6, 7-tetrahydro-2H-isoindole derivatives as potent and selective Cox-2 inhibitors." Journal of Indian Chemical Society Vol. 84, Mar 2007 (2007): 260–62. https://doi.org/10.5281/zenodo.5816460.

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Department of Chemistry, University of Allahabad, Allahabad-211 002, Uttar Pradesh, India <em>E-mail </em>: qsarlab_am@rediffmail.com <em>Manuscript received 7 November 2006, accepted 10 January 2007</em> The quantitative structure activity relationship (QSAR) of analogues of diary! tetrahydroisoindole focusing on the modification of the ring fused to pyrrole nucleus, is discussed. The anti-inflammatory activity of these compounds is found to be dominantly controlled by electronic and steric factors, Xeq and <sup>1</sup>א<sup>v</sup> in combination with indicator parameters.

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43

Iyamu, Iredia D., Yingzhao Zhao, Prakash T. Parvatkar, et al. "Structure-activity and structure-property relationship studies of spirocyclic chromanes with antimalarial activity." Bioorganic & Medicinal Chemistry 57 (March 2022): 116629. http://dx.doi.org/10.1016/j.bmc.2022.116629.

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44

Ali, Syed, Mehtab Alam, Atiya Abbasi, et al. "Structure-Activity Relationship of Chlorotoxin-Like Peptides." Toxins 8, no. 2 (2016): 36. http://dx.doi.org/10.3390/toxins8020036.

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45

Karamać, Magdalena, Lidiya Koleva, Vessela Kancheva, and Ryszard Amarowicz. "The Structure–Antioxidant Activity Relationship of Ferulates." Molecules 22, no. 4 (2017): 527. http://dx.doi.org/10.3390/molecules22040527.

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46

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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47

Shaw, Simon. "The Structure Activity Relationship of Discodermolide Analogues." Mini-Reviews in Medicinal Chemistry 8, no. 3 (2008): 276–84. http://dx.doi.org/10.2174/138955708783744137.

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48

Drewe, Jürgen, Ernst Küsters, Felix Hammann, Matthias Kreuter, Philipp Boss, and Verena Schöning. "Modeling Structure–Activity Relationship of AMPK Activation." Molecules 26, no. 21 (2021): 6508. http://dx.doi.org/10.3390/molecules26216508.

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The adenosine monophosphate activated protein kinase (AMPK) is critical in the regulation of important cellular functions such as lipid, glucose, and protein metabolism; mitochondrial biogenesis and autophagy; and cellular growth. In many diseases—such as metabolic syndrome, obesity, diabetes, and also cancer—activation of AMPK is beneficial. Therefore, there is growing interest in AMPK activators that act either by direct action on the enzyme itself or by indirect activation of upstream regulators. Many natural compounds have been described that activate AMPK indirectly. These compounds are u

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49

Lucas, Mariana, Marisa Freitas, Artur M. S. Silva, Eduarda Fernandes, and Daniela Ribeiro. "Styrylchromones: Biological Activities and Structure-Activity Relationship." Oxidative Medicine and Cellular Longevity 2021 (December 22, 2021): 1–47. http://dx.doi.org/10.1155/2021/2804521.

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Styrylchromones (SC) are a group of oxygen-containing heterocyclic compounds, which are characterized by the attachment of a styryl group to the chromone core. SC can be found in nature or can be chemically synthesized in the laboratory. As their presence in nature is scarce, the synthetic origin is the most common. Two types of SC are known: 2-styrylchromones and 3-styrylchromones. However, 2-styrylchromones are the most common, being more commonly found in nature and which chemical synthesis is more commonly described. A wide variety of SC has been described in the literature, with different

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50

Goodman, Allan, Jennifer McCall, Henry Jacocks, et al. "Structure Activity Relationship of Brevenal Hydrazide Derivatives." Marine Drugs 12, no. 4 (2014): 1839–58. http://dx.doi.org/10.3390/md12041839.

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