Discovery of novel antifungal resorcylate aminopyrazole Hsp90 inhibitors based on structural optimization by molecular simulations-Reference-Cited by-同舟云学术

Discovery of novel antifungal resorcylate aminopyrazole Hsp90 inhibitors based on structural optimization by molecular simulations

Author:

Tuo Yan¹^ORCID,Li Guangping¹^ORCID,Liu Zhou¹,Yu Na¹,Li Yuepeng¹,Yang Li¹^ORCID,Liu Haibin²,Wang Yuanqiang¹³⁴⁵^ORCID

Affiliation:

1. School of Pharmacy and Bioengineering, Chongqing University of Technology, Chongqing 400054, China

2. National Engineering Research Center for Gelatin-based Traditional Chinese Medicine, Dong-E-E-Jiao Co. Ltd., Shandong Province, 252201, China

3. Chongqing Key Laboratory of Medicinal Chemistry & Molecular Pharmacology, Chongqing University of Technology, Chongqing, 400054, China

4. Chongqing Key Laboratory of Target Based Drug Screening and Activity Evaluation, Chongqing University of Technology, Chongqing, 400054, China

5. State Key Laboratory of Silkworm Genome Biology, Southwest University, Chongqing, 400716, China

Abstract

Novel antifungal resorcylate aminopyrazole Hsp90 inhibitors were discovered by 3D-QSAR, molecular docking and molecular dynamics simulations.

Funder

Chongqing University of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

Reference46 articles.

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