Identification of fosaprepitant as a novel GSTP1 inhibitor through structure-based virtual screening, molecular dynamics simulation, and biological evaluation-Reference-Cited by-同舟云学术

Identification of fosaprepitant as a novel GSTP1 inhibitor through structure-based virtual screening, molecular dynamics simulation, and biological evaluation

Published:2022 Issue:3 Volume:46 Page:1042-1053
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Lin Hao¹,Sun Wenxiu²,Zeng Tao¹,Li Hengda¹,Xu Chenming¹,Chen Yan³,Yin Wu¹^ORCID

Affiliation:

1. The State Key Lab of Pharmaceutical Biotechnology, College of Life Sciences, Nanjing University, Nanjing, China

2. Department of pharmacy, Lingbi people's Hospital, Suzhou, Anhui, China

3. The Affiliated cancer hospital of Nanjing Medical University, Jiangsu cancer hospital, Nanjing, China

Abstract

The workflow of virtual screening for the discovery of GSTP1 inhibitors.

Funder

Six Talent Peaks Project in Jiangsu Province

National Natural Science Foundation of China

Natural Science Research of Jiangsu Higher Education Institutions of China

Jiangsu Provincial Key Research and Development Program

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D1NJ04597K

Reference42 articles.

1. The role of glutathione-S-transferase in anti-cancer drug resistance

2. The multifaceted role of glutathione S-transferases in cancer

3. Gene and Protein Characterization of the Human Glutathione S-Transferase Kappa and Evidence for a Peroxisomal Localization

4. Ethacrynic Acid and a Derivative Enhance Apoptosis in Arsenic Trioxide–Treated Myeloid Leukemia and Lymphoma Cells: The Role of Glutathione S-Transferase P1-1

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