Design of New Derivatives of Dimedone Molecules Using QSAR and Docking Molecular

Design of New Derivatives of Dimedone Molecules Using QSAR and Docking Molecular

In this work, we investigated the quantitative relationship between biological activity against non-small cell lung cancer (NSCLC) and the molecular structure of a series of 38 cyclohexane-1,3-dione-dimidone derivatives. For this purpose, molecular descriptors calculated by DFT-B3LYP/6-31G, topologi...

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Bibliographic Details
Main Authors: Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Souad Elkhattabi, Samir Chtita
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Medical Sciences Forum
Subjects:
QSAR
ADMET
molecular docking
NSCLC
C-met
Online Access:https://www.mdpi.com/2673-9992/14/1/106

Internet

https://www.mdpi.com/2673-9992/14/1/106

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