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3 articles related to "Comparative Molecular Field Analysis"

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Articles

Original Research

Published on 25 Nov 2021

3D-QSAR, Molecular Docking, and MD Simulations of Anthraquinone Derivatives as PGAM1 Inhibitors

in Experimental Pharmacology and Drug Discovery

Yuwei Wang
Yifan Guo
Shaojia Qiang
Ruyi Jin
Zhi Li
Yuping Tang
Elaine Lai Han Leung
Hui Guo
Xiaojun Yao

Frontiers in Pharmacology

doi 10.3389/fphar.2021.764351

9,386 views
16 citations

Original Research

Published on 27 Jun 2025

Design and screening of novel 1,2,4-Triazole-3-thione derivatives as DCN1 inhibitors for anticardiac fibrosis based on 3D-QSAR modeling and molecular dynamics

in Experimental Pharmacology and Drug Discovery

Wengong Bian
Yaxin Guo

Frontiers in Pharmacology

doi 10.3389/fphar.2025.1590711

1,621 views

Original Research

Published on 22 Nov 2023

Potent VEGFR-2 inhibitors for resistant breast cancer: a comprehensive 3D-QSAR, ADMET, molecular docking and MMPBSA calculation on triazolopyrazine derivatives

in Biological Modeling and Simulation

Soukayna Baammi
Achraf El Allali
Rachid Daoud

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2023.1288652

7,394 views
17 citations