Inhibition of angiotensin converting enzyme by phytochemicals in Cucurbita pepo L.: In silico Approach

Abstract

Abstracts: Diabetes mellitus remains one of the dreaded diseases that affect both man and woman. It also causes a disorder which incapacitates human body from producing and exhausting insulin. In this work, in silico method was used to explore the anti-angiotensin converting enzyme activities of selected phytochemicals obtained from Cucurbita pepo L. The optimization of the phytochemicals obtained from Cucurbita pepo L. resulted to series of descriptors which exactly describe anti-angiotensin converting enzyme activities of Cucurbita pepo L.. Also, 3-[(Z)-3-(3,4-dihydroxyphenyl)prop‑2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid (Compound 3) with -7.7 kcal/mol proved to have better tendency to inhibit angiotensin converting enzyme than compound 1,2,4–8 as well as the referenced drug (Metformin) thereby dowregulating diabetes. The ADMET (absorption, distribution, metabolism excretion and toxicity) were examined and reported.

Keywords

• Cucurbita pepo L.
• DFT
• Molecular docking
• ADMET