Combined pharmacophore modeling, 3D-QSAR and docking studies to identify novel HDAC inhibitors using drug repurposing-Reference-Cited by-同舟云学术

Combined pharmacophore modeling, 3D-QSAR and docking studies to identify novel HDAC inhibitors using drug repurposing

Published:2019-04-02 Issue:2 Volume:38 Page:533-547
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Liu Jian¹²³,Zhu Yehua¹,He Yufang¹,Zhu Haohao¹,Gao Yi¹,Li Zhi¹,Zhu Junru¹,Sun Xinjie¹,Fang Fang¹,Wen Hongmei¹²³,Li Wei¹²³

Affiliation:

1. School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, China;

2. Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing, Jiangsu, China;

3. Jiangsu Key Laboratory for Functional Substances of Chinese Medicine Stake Key Laboratory Cultivation Base for TCM Quality and Efficacy School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, China

Funder

National Natural Science Foundation of China

Jiangsu Natural Science Foundation of China

Natural Science Foundation of Jiangsu Higher Education Institutions

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2019.1590241

Reference91 articles.

1. Designing potential HDAC3 inhibitors to improve memory and learning

2. Combined 3D-QSAR Modeling and Molecular Docking Study on Indolinone Derivatives as Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase-1

3. Drug repositioning: identifying and developing new uses for existing drugs

4. Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides

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