Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculation Insights into the Binding Mechanism between VS-4718 and Focal Adhesion Kinase-Reference-Cited by-同舟云学术

Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculation Insights into the Binding Mechanism between VS-4718 and Focal Adhesion Kinase

Published:2022-08-31 Issue:36 Volume:7 Page:32442-32456
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Shi Mingsong¹,Chen Tao¹,Wei Siping²³,Zhao Chenyu⁴,Zhang Xinyu⁵,Li Xinghui⁵,Tang Xinyi⁵,Liu Yan¹,Yang Zhuang¹^ORCID,Chen Lijuan¹

Affiliation:

1. State Key Laboratory of Biotherapy, West China Hospital of Sichuan University, Chengdu 610041, Sichuan, China

2. Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources, Guangxi Normal University, Guilin 541004, China

3. Department of Medicinal Chemistry, School of Pharmacy, Southwest Medical University, Luzhou 646000, China

4. West China School of Basic Medical Sciences and Forensic Medicine, Sichuan University, Chengdu 610041, China

5. West China School of Pharmacy, Sichuan University, Chengdu 610041, Sichuan, China

Funder

Sichuan University

National Natural Science Foundation of China

State Key Laboratory of Chemistry and Molecular Engineering of Medicinal Resources, Guangxi Normal University

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c03951

Reference144 articles.

1. Focal adhesion kinase splicing and protein activation in papillary thyroid carcinoma progression

2. Drug Discovery Targeting Focal Adhesion Kinase (FAK) as a Promising Cancer Therapy

3. Targeting FAK in anticancer combination therapies

4. Focal adhesion kinase—An emerging viable target in cancer and development of focal adhesion kinase inhibitors

Role of Focal Adhesion Kinase in Head and Neck Squamous Cell Carcinoma and Its Therapeutic Prospect

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