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Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis

Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis

Durbek Usmanov, Bakhtiyor Rasulev, Vladimir Syrov, Ugiloy Yusupova, Nurmurod Ramazonov
Copyright: © 2020 |Volume: 5 |Issue: 3 |Pages: 11
ISSN: 2379-7487|EISSN: 2379-7479|EISBN13: 9781799808435|DOI: 10.4018/IJQSPR.20200701.oa3
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MLA

Usmanov, Durbek, et al. "Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis." IJQSPR vol.5, no.3 2020: pp.108-118. http://doi.org/10.4018/IJQSPR.20200701.oa3

APA

Usmanov, D., Rasulev, B., Syrov, V., Yusupova, U., & Ramazonov, N. (2020). Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis. International Journal of Quantitative Structure-Property Relationships (IJQSPR), 5(3), 108-118. http://doi.org/10.4018/IJQSPR.20200701.oa3

Chicago

Usmanov, Durbek, et al. "Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis," International Journal of Quantitative Structure-Property Relationships (IJQSPR) 5, no.3: 108-118. http://doi.org/10.4018/IJQSPR.20200701.oa3

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Abstract

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 calculated descriptors was used for modeling, including quantum-chemical descriptors. Several high-performance models were developed and the best model describing the hepatoprotective activity of iridoids is proposed. The model obtained in this study shows not only a statistical significance, but also excellent predictive ability. The obtained model can be used to estimate the hepatoprotective activity of new substituted iridoids.