Integration of pharmacophore mapping and molecular docking in sequential virtual screening: towards the discovery of novel JAK2 inhibitors-Reference-Cited by-同舟云学术

Integration of pharmacophore mapping and molecular docking in sequential virtual screening: towards the discovery of novel JAK2 inhibitors

Published:2017 Issue:17 Volume:7 Page:10353-10360
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yao Ting-Ting¹²³⁴⁵,Xie Jiang-Feng¹²³⁴⁵,Liu Xing-Guo⁶⁷⁸⁹,Cheng Jing-Li¹⁰¹¹⁴¹²⁹,Zhu Cheng-Yuan¹²³⁴⁵,Zhao Jin-Hao¹²³⁴⁵,Dong Xiao-Wu¹²³⁴⁵^ORCID

Affiliation:

1. ZJU-ENS Joint Laboratory of Medicinal Chemistry

2. Zhejiang Province Key Laboratory of Anti-Cancer Drug Research

3. College of Pharmaceutical Sciences

4. Zhejiang University

5. Hangzhou

6. School of Chemical Engineering and Light Industry

7. Guangdong University of Technology

8. Guangzhou

9. P. R. China

10. Institute of Pesticide and Environmental Toxicology

11. Ministry of Agriculture Key Laboratory of Agricultural Entomology

12. Hangzhou 310029

Abstract

An integrated sequential virtual screening protocol by combining molecular docking and pharmacophore mapping was successfully constructed to identify novel small-molecule inhibitors of JAK2.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA24959K

Reference32 articles.

1. The Janus kinases (Jaks)

2. The JAK2/STAT3 signaling pathway is required for growth of CD44+CD24– stem cell–like breast cancer cells in human tumors

3. Activating mutation in the tyrosine kinase JAK2 in polycythemia vera, essential thrombocythemia, and myeloid metaplasia with myelofibrosis

4. A unique clonal JAK2 mutation leading to constitutive signalling causes polycythaemia vera

5. Department of Error

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