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Inhibitory Effects of Curcumin on Aldose Reductase and Cyclooxygenase-2 Enzymes Publisher Pubmed



Mirzaei M1 ; Harismah K2 ; Soleimani M3 ; Mousavi S4
Authors
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Authors Affiliations
  1. 1. Biosensor Research Center, School of Advanced Technologies in Medicine, Isfahan University of Medical Sciences, Isfahan, Iran
  2. 2. Department of Chemical Engineering, Faculty of Engineering, Universitas Muhammadiyah Surakarta, Surakarta, Indonesia
  3. 3. Isfahan Pharmacy Students' Research Committee, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran
  4. 4. Department of Clinical Pharmacy and Pharmacy Practice, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran

Source: Journal of Biomolecular Structure and Dynamics Published:2021


Abstract

Diabetes is very much known as a wide-spread disorder all around the world with serious complications for the diabetic patient. In order to reduce these complications, inhibition the activity of aldose reductase (AR) and cyclooxygenase-2 (COX-2) enzymes is a proposed pathway. Within this work potency of curcumin (CUR) for the proposed enzymatic inhibition has been performed by the in silico methodologies. The main purposes of this work; evaluating first, the effect of original CUR on each of AR and COX-2 enzymes; second, the best CUR derivative for the individual action; third, the best CUR derivative with common effect on both enzymes, the results have been analyzed. The results based on the scoring factors of 66 derivatives indicated that C60 could be seen specific for AR and C62 could be seen specific for COX-2 enzyme. Further analysis indicated that C19 could be considered as a ligand with common Rank for interactions with both enzymes. The quantitative EB results indicated that the strength of interacting ligand…target complexes of C19, C60 and C62 are stronger than original inhibitors of AR and COX-2 whereas this trend has not been seen for the complexes of original CUR. The qualitative representations of interacting counterparts revealed that he proposed ligands could interact with those important parts of enzymes, especially NADPH of AR besides proper amino acids of active site for both of AR and COX-2 enzymes. The in silico methodologies have been performed based on Density Functional Theory calculations and Molecular Docking simulations. Communicated by Ramaswamy H. Sarma. © 2020 Informa UK Limited, trading as Taylor & Francis Group.
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