Random acceleration and steered molecular dynamics simulations reveal the (un)binding tunnels in adenosine deaminase and critical residues in tunnels-Reference-Cited by-同舟云学术

Random acceleration and steered molecular dynamics simulations reveal the (un)binding tunnels in adenosine deaminase and critical residues in tunnels

Published:2020 Issue:72 Volume:10 Page:43994-44002
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Pan Yue¹²³⁴⁵,Qi Renrui¹²³⁴⁵,Li Minghao¹²³⁴⁵,Wang Bingda¹²³⁴⁵,Huang Honglan⁶⁷³⁸⁵,Han Weiwei¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education

2. School of Life Science

3. Jilin University

4. Changchun 130012

5. China

6. Department of Pathobiology

7. College of Basic Medical Sciences

8. Changchun

Abstract

Adenosine deaminase (ADA), an important enzyme related to purine nucleoside metabolism, can be divided into open conformation and closed conformation according to the inhibitors of binding.

Funder

Jilin University

Education Department of Jilin Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA07796H

Reference44 articles.

1. A Highly Potent Non-Nucleoside Adenosine Deaminase Inhibitor: Efficient Drug Discovery by Intentional Lead Hybridization

2. Correlation of adenosine deaminase activity with cell surface markers in acute lymphoblastic leukemia.

3. Adenosine deaminase deficiency and severe combined immunodeficiency disease

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