Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study-Reference-Cited by-同舟云学术

Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study

Published:2019 Issue:24 Volume:21 Page:12931-12947
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Xie Tianli¹²³⁴,Yu Jie¹²³⁴,Fu Weitao¹²³⁴,Wang Zhe¹²³⁴,Xu Lei⁵⁶⁷⁸⁴,Chang Shan⁵⁶⁷⁸⁴^ORCID,Wang Ercheng¹²³⁴,Zhu Feng¹²³⁴^ORCID,Zeng Su¹²³⁴,Kang Yu¹²³⁴^ORCID,Hou Tingjun¹²³⁴⁹^ORCID

Affiliation:

1. College of Pharmaceutical Sciences

2. Zhejiang University

3. Hangzhou 310058

4. China

5. Institute of Bioinformatics and Medical Engineering

6. School of Electrical and Information Engineering

7. Jiangsu University of Technology

8. Changzhou 213001

9. State Key Lab of CAD&CG

Abstract

Molecular simulation techniques help with the rational design of novel selective inhibitors targeting certain DNA methyltransferase isoforms, which is beneficial for more refined treatments of epigenetic related cancer and other diseases.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02024A

Reference86 articles.

1. Cancer-epigenetics comes of age

2. DNA methylation in health and disease