Identification of HDAC6 selective inhibitors: pharmacophore based virtual screening, molecular docking and molecular dynamics simulation-Reference-Cited by-同舟云学术

Identification of HDAC6 selective inhibitors: pharmacophore based virtual screening, molecular docking and molecular dynamics simulation

Published:2020-04-11 Issue:6 Volume:39 Page:1928-1939
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Yan Guoyi¹²,Li Dongxiao³,Zhong Xinxin⁴,Liu Ge¹²,Wang Xueqin¹⁵,Lu Yuanxiang¹²,Qin Fangyuan¹²,Guo Yuqi¹²,Duan Shaofeng⁶,Li Deyu¹²

Affiliation:

1. Henan Provincial People’s Hospital, Zhengzhou, Henan, China

2. School of Clinical Medicine, Henan University, Zhengzhou, China

3. Department of Gastroenterology, Tongji Hospital of Tongji Medical College, Huazhong University of Science and Technology, Wuhan, China

4. State Key Laboratory of Biotherapy, Collaborative Innovation Center for Biotherapy, West China Hospital, West China Medical School, Sichuan University, Sichuan, China

5. College of Bioengineering, Henan University of Technology, Zhengzhou, China

6. School of Pharmacy, Henan University, Kaifeng, China

Funder

This work was funded by Medical Science and Technology Tackling Project of Henan Provincial Department of Health

Key Science and Technology Research Projects of Henan Science and Technology Department

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1743760

Reference59 articles.

1. Structure-based design of selective histone deacetylase 6 zinc binding groups

2. Development of decision trees to discriminate HDAC8 inhibitors and non-inhibitors using recursive partitioning

3. Designing potential HDAC3 inhibitors to improve memory and learning

4. New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

5. Structural exploration of tetrahydroisoquinoline derivatives as HDAC8 inhibitors through multi-QSAR modeling study

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