Inhibitory selectivity to the AKR1B10 and aldose reductase (AR): insight from molecular dynamics simulations and free energy calculations-Reference-Cited by-同舟云学术

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Inhibitory selectivity to the AKR1B10 and aldose reductase (AR): insight from molecular dynamics simulations and free energy calculations

Published:2023 Issue:38 Volume:13 Page:26709-26718
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Lin Ping¹²,Niu Yuzhen¹³^ORCID

Affiliation:

1. Weifang University of Science and Technology, Weifang, 262700, China

2. Institute of Modern Physics, Chinese Academy of Science, Lanzhou 730000, China

3. Shandong Engineering Research Center of Green and High-value Marine Fine Chemical, Weifang University of Science and Technology, Weifang, 262700, China

Abstract

Molecular dynamics simulations and free energy calculations were used to explore the inhibitory selectivity to the AKR1B10 and aldose reductase (AR).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA02215C

Reference48 articles.

1. The Role of AKR1B10 in Physiology and Pathophysiology

2. Natural Aldose Reductase Inhibitor: A Potential Therapeutic Agent for Non-alcoholic Fatty Liver Disease

3. AKR1B1 and AKR1B10 as Prognostic Biomarkers of Endometrioid Endometrial Carcinomas

4. Rhodanine-3-acetamide derivatives as aldose and aldehyde reductase inhibitors to treat diabetic complications: synthesis, biological evaluation, molecular docking and simulation studies

5. Aldose Reductase: An Emerging Target for Development of Interventions for Diabetic Cardiovascular Complications

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