Discovery of novel 4-hydroxyquinolines as indoleamine 2, 3-dioxygenase 1 inhibitors by virtual screening

Discovery of novel 4-hydroxyquinolines as indoleamine 2, 3-dioxygenase 1 inhibitors by virtual screening

Objective To discover novel indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors with new scaffold structures by screening ZINC and Chembridge databases using pharmacophore modeling and molecular docking. Methods We performed virtual screening of the ZINC database by molecular docking targeting the enzy...

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Bibliographic Details
Main Authors: ZHANG Yuping, SHAN Changyu, GUO Haiqiong
Format: Article
Language:zho
Published: Editorial Office of Journal of Third Military Medical University 2019-08-01
Series:Di-san junyi daxue xuebao
Subjects:
indoleamine 2 3-dioxygenase 1 inhibitors
molecular docking
pharmacophore modeling
enzyme activity
molecular dynamics simulation
Online Access:http://aammt.tmmu.edu.cn/Upload/rhtml/201903051.htm

Internet

http://aammt.tmmu.edu.cn/Upload/rhtml/201903051.htm

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