Selectivity mechanism of BCL-XL/2 inhibition through <i>in silico</i> investigation-Reference-Cited by-同舟云学术

Selectivity mechanism of BCL-XL/2 inhibition through in silico investigation

Published:2022 Issue:28 Volume:24 Page:17105-17115
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Luan Jiasi¹²³^ORCID,Hu Baichun¹²⁴^ORCID,Wang Shizhun¹²⁵^ORCID,Liu Haihan¹²⁵,Lu Shuaizhong¹²⁵,Li Weixia¹²⁵,Sun Xizhe⁴,Shi Jiyue¹²⁵,Wang Jian¹²⁵^ORCID

Affiliation:

1. Key Laboratory of Structure-Based Drug Design &Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China

2. Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, Shenyang Pharmaceutical University, Shenyang 110016, China

3. School of Medical Devices, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China

4. School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China

5. School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China

Abstract

Comprehensive in silico investigation reveals that the BCL-XL residues SER106 and LEU108 and BCL-2 residues ASP103, TYR108, and TYR202 significantly affect selectivity by forming interactions with different molecular scaffolds.

Funder

Department of Education of Liaoning Province

Program for Liaoning Innovative Talents in University

Overseas Expertise Introduction Project for Discipline Innovation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01755E

Reference38 articles.

1. Role of Bcl-2 Family Proteins in Photodynamic Therapy Mediated Cell Survival and Regulation