QSAR Modeling and Biological Testing of Some 15-LOX Inhibitors in a Series of Homo- and Heterocyclic Compounds

QSAR Modeling and Biological Testing of Some 15-LOX Inhibitors in a Series of Homo- and Heterocyclic Compounds

This paper examines the quantitative structure–inhibitory activity relationship of 15-lipoxygenase (15-LOX) in sets of 100 homo- and heterocyclic compounds using GUSAR 2019 software. Statistically significant valid models were built to predict the IC50 parameter. A combination of MNA and QNA descrip...

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Bibliographic Details
Main Authors: Veronika Khairullina, Yuliya Martynova, Matvey Kanevsky, Irina Kanevskaya, Yurii Zimin, Leonid Maksimov
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Molecules
Subjects:
inhibitors of 15-lipoxygenase
15-LOX
QSAR models
GUSAR 2019 program
QNA descriptors
MNA descriptors
Online Access:https://www.mdpi.com/1420-3049/29/23/5540
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