Identification of potent CypD inhibitors via pharmacophore based virtual screening, docking and molecular dynamics simulation-Reference-Cited by-同舟云学术

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Identification of potent CypD inhibitors via pharmacophore based virtual screening, docking and molecular dynamics simulation

Published:2022-01 Issue: Volume:1247 Page:131355
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Chen Xiao-Zhong,Yu Xiu-Yan,Dai Chen,Huang Qiu-Yang,Shen Yan,Wang Juan,Hu Yong,Lin Zhi-Hua

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference27 articles.

1. Structure-based design, synthesis, and biological evaluation of novel inhibitors of human cyclophilin A;Guichou;J. Med. Chem.,2006

2. Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases;Davis;PLoS Biol.,2010

3. New insights into acute pancreatitis;Lee;Nat. Rev. Gastroenterol. Hepatol.,2019

4. Small molecule inhibitors of cyclophilin D to protect mitochondrial function as a potential treatment for acute pancreatitis;Shore;J. Med. Chem.,2016

5. Discovery of 4,6- and 5,7-disubstituted isoquinoline derivatives as a novel class of protein kinase C ζ inhibitors with fragment-merging strategy;Atobe;J. Med. Chem.,2020

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