An antibacterial lead identification of novel 1,3,4-oxadiazole derivatives based on molecular computer aided design approaches

An antibacterial lead identification of novel 1,3,4-oxadiazole derivatives based on molecular computer aided design approaches

Merging Density Functional Theory (DFT) with the Quantitative Structure-Activity Relationship (2D/3D-QSAR) modeling represents a promising avenue for exploring antibacterial activity and discovering potential drugs effective against both gram-positive and gram-negative microorganisms. In this study,...

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Bibliographic Details
Main Authors: Marwa Manachou, Ossama Daoui, Oussama Abchir, Rahma Dahmani, Souad Elkhattabi, Abdelouahid Samadi, Salah Belaidi, Samir Chtita
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Scientific African
Subjects:
Antimicrobial evaluation
Comparative molecular field analysis
Comparative similarity indices analysis
Density functional theory
Molecular docking
Molecular dynamics
Online Access:http://www.sciencedirect.com/science/article/pii/S246822762400022X

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http://www.sciencedirect.com/science/article/pii/S246822762400022X

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