Molecular structure, drug likeness and QSAR modeling of 1,2-diazole derivatives as inhibitors of enoyl-acyl carrier protein reductase

Quantitative structure-activity relationships and drug-likeness evaluations were investigated for 33 compounds of 1,2-diazole derivatives as anti-mycobacterium tuberculosis. MLR procedures were used to obtain QSAR models. The predictivity of the models was estimated using cross-validation with the l...

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Bibliographic Details
Main Authors: Muneerah Mogren Al Mogren, Enfale Zerroug, Salah Belaidi, Ahlam BenAmor, Sarah Dhaif Allah Al Harbi
Format: Article
Language:English
Published: Elsevier 2020-06-01
Series:Journal of King Saud University: Science
Subjects:
DFT
MPO
Online Access:http://www.sciencedirect.com/science/article/pii/S1018364720301002