Improved 3D-QSAR prediction by multiple-conformational alignment: A case study on PTP1B inhibitors-Reference-Cited by-同舟云学术

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Improved 3D-QSAR prediction by multiple-conformational alignment: A case study on PTP1B inhibitors

Published:2019-12 Issue: Volume:83 Page:107134
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Zhang Xiangyu,Mao Jianping,Li Wei,Koike Kazuo,Wang Jian

Funder

National Natural Science Foundation of China

Shenyang Pharmaceutical University

National Natural Science Foundation of Liaoning province

Training Program Foundation for the Distinguished Young Scholars of University in Liaoning Province

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference23 articles.

1. Three-dimensional quantitative structure-activity relationship (3D-QSAR) models for a novel class of piperazine-based stromelysin-1 (MMP-3)inhibitors: applying a “divide and conquer” strategy;Amin;J. Med. Chem.,2001

2. Molecular dynamics approach to probe the allosteric inhibition of PTP1B by chlorogenic and cichoric acid;Baskaran;J. Chem. Inf. Model.,2012

3. Molecular field technology applied to virtual screening and finding the bioactive conformation;Cheeseright;Expert Opin. Drug Discov.,2007

4. QSAR modeling: where have you been? Where are you going to?;Cherkasov;J. Med. Chem.,2014

5. 3D-QSAR as a tool for understanding and improving single-site polymerization catalysts. A review;Cruz;Organometallics,2014

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