Molecular docking and inhibition studies of vulpinic, carnosic and usnic acids on polyol pathway enzymes

Demir Y., CEYLAN H., TÜRKEŞ C., BEYDEMİR Ş.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, vol.40, no.22, pp.12008-12021, 2022 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 40 Issue: 22
  • Publication Date: 2022
  • Doi Number: 10.1080/07391102.2021.1967195
  • Journal Name: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE
  • Page Numbers: pp.12008-12021
  • Keywords: Aldose reductase, sorbitol dehydrogenase, carnosic acid, usnic acid, vulpinic acid, IN-SILICO EVALUATION, NONCLASSICAL CARBONIC-ANHYDRASE, CALCIUM-CHANNEL BLOCKERS, POTENTIAL ACETYLCHOLINESTERASE, VITRO, DESIGN, HYDROCHLORIDE, DERIVATIVES, COMPLEXES, GLYCATION
  • Anadolu University Affiliated: Yes

Abstract

Aldose reductase (AR) and sorbitol dehydrogenase (SDH) are important enzymes of the polyol pathway. In the current study, inhibitory effects of vulpinic acid (VA) carnosic acid (CA) and usnic acid (UA) on purified AR and SDH enzymes were determined. These enzymes inhibition could be essential to prevent diabetic complications. AR and SDH enzymes were purified from sheep kidney. Then, VA, CA and UA were tested in various concentrations against these enzymes activity in vitro. K-I values were found to be as 1.46 +/- 0.04, 5.13 +/- 0.25 and 11.71 +/- 0.27 mu M for VA, CA and UA, respectively, for AR. K-I constants were found to be as 15.32 +/- 0.34, 145.60 +/- 2.17 and 213.40 +/- 2.64 mu M VA, CA and UA, respectively, for SDH. These findings indicate that VA, CA and UA could be useful in the treatment of diabetic complications. Communicated by Ramaswamy H. Sarma