Discovery of Cobimetinib as a novel A-FABP inhibitor using machine learning and molecular docking-based virtual screening-Reference-Cited by-同舟云学术

Discovery of Cobimetinib as a novel A-FABP inhibitor using machine learning and molecular docking-based virtual screening

Published:2022 Issue:21 Volume:12 Page:13500-13510
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Shilun¹^ORCID,Li Simeng¹²,Chang Junlei¹²^ORCID

Affiliation:

1. Center for Protein and Cell-based Drugs, Institute of Biomedicine and Biotechnology, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Xueyuan Blvd 1068, Shenzhen 518055, Guangdong, China

2. University of Chinese Academy of Sciences, Beijing 100049, China

Abstract

The integrated virtual screening pipeline was constructed to identify potential inhibitors of A-FABP in the latest FDA-approved drug library, aiming to explore the existing drugs with proven safety profiles.

Funder

CAS-Croucher Funding Scheme for Joint Laboratories

National Natural Science Foundation of China

National Key Research and Development Program of China

Science, Technology and Innovation Commission of Shenzhen Municipality

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA01057G