COMPUTATIONAL STUDY ON THE ANGIOTENSIN CONVERTING ENZYME INHIBITORY POTENTIAL OF THE TEA POLYPHENOLS – CATECHINS: RELEVANCE TO CARDIOVASCULAR DISEASES
Keywords:
Polyphenols, Catechins, ACE, Cardioprotective, IC50Abstract
Objectives: Secondary metabolites obtained from different plants have been the starting material for designing different drugs. Polyphenols are the secondary metabolites that shows myriad varieties of pharmacological activities. Different polyphenols have been found to be cardioprotective and paved the path towards development of cardioprotective formulations. In the present study, we have analyzed the inhibitory potential of tea catechins, a group of polyphenols, on the Angiotensin Converting Enzyme (ACE) - the enzyme responsible for various cardiovascular diseases.
Methods: Binding affinity of catechins against known cardioprotective drug target were calculated by performing the docking experiment using FlexX and IC50 values of the compounds were predicted by QSAR analysis.
Results: ADMET screening revealed that catechins were non-toxic and obeyed Lipinski's rule. The docking studies showed greater affinity of the catechins towards the active site of drug target. QSAR analysis revealed that the catechins have significant IC 50 values.
Conclusion: The study suggests that catechins may be Angiotensin Converting Enzyme targeted potent new drug for treating Cardiovascular diseases.
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