Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis
In: International Journal of Quantitative Structure-Property Relationships, Jg. 5 (2020-07-01), Heft 3
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Zugriff:
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.
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Structure-Hepatoprotective Activity Relationship Study of Iridoids: A QSAR Analysis
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Autor/in / Beteiligte Person: | Usmanov, Durbek ; Rasulev, Bakhtiyor ; Syrov, Vladimir ; Yusupova, Ugiloy ; Ramazonov, Nurmurod |
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Zeitschrift: | International Journal of Quantitative Structure-Property Relationships, Jg. 5 (2020-07-01), Heft 3 |
Veröffentlichung: | 2020 |
Medientyp: | academicJournal |
ISSN: | 2379-7487 (print) ; 2379-7479 (print) |
DOI: | 10.4018/IJQSPR.20200701.oa3 |
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