Molecular description of pyrimidine-based inhibitors with activity against FAK combining 3D-QSAR analysis, molecular docking and molecular dynamics

Molecular description of pyrimidine-based inhibitors with activity against FAK combining 3D-QSAR analysis, molecular docking and molecular dynamics

Focal adhesion kinase (FAK) is a promising target for developing more effective anticancer drugs. To better understand the structure-activity relationships and mechanism of actions of FAK inhibitors, a molecular modeling study using 3D-QSAR, molecular docking, molecular dynamics simulations, and bin...

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Bibliographic Details
Main Authors: Fangfang Wang, Wei Yang, Ran Li, Zhihai Sui, Guijuan Cheng, Bo Zhou
Format: Article
Language:English
Published: Elsevier 2021-06-01
Series:Arabian Journal of Chemistry
Subjects:
FAK
CoMFA
CoMSIA
Molecular docking
Molecular dynamics
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535221001593

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