Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach

Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach

In this study, using the Comparative Molecular Field Analysis (CoMFA) approach, the structure-activity relationship of 33 small quinoline-based compounds with biological anti-gastric cancer activity in vitro was analyzed in 3D space. Once the 3D geometric and energy structure of the target chemical...

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Bibliographic Details
Main Authors:	Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Kaouakeb Elkhattabi, Abdelmoula Elabbouchi, Samir Chtita, Abdelouahid Samadi, Souad Elkhattabi
Format:	Article
Language:	English
Published:	MDPI AG 2024-01-01
Series:	Molecules
Subjects:	quinoline anti-gastric cancer 3D-QSAR CoMFA POM ADME-Tox
Online Access:	https://www.mdpi.com/1420-3049/29/2/426

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