Pharmacy Reports
Vol. 2 No. 3 (2022): Pharmacy Reports

Potential of cocoa (Theobroma cacao) shell for diabetic neuropathy targeting transient receptor potential canonical (TRPC): an in silico study

Pangestu, Maryo Adjie (Unknown)
Sarmoko (Unknown)
Purwanata, I Gede Raditya (Unknown)
Zusela, Titah (Unknown)



Article Info

Publish Date
28 Aug 2024

Abstract

Diabetic neuropathy, a painful complication of diabetes mellitus, may potentially be treated with compounds found in cocoa pods. This study investigates the interactions of various flavonoids (catechin, epicatechin, quercetin, luteolin, apigenin, naringenin, and procyanidin) contained in the cocoa pod to the Canonical Transient Receptor Potential (TRPC6) receptor. Molecular docking, facilitated by Autodock software, was employed to predict the binding affinities of these compounds to TRPC6. This involved preparing the molecular structures of the flavonoids and the TRPC6 protein for simulation. The simulation provided insights into the binding efficiencies and interaction energies between the flavonoids and TRPC6. The findings indicate that procyanidin and quercetin exhibit the highest binding energies, at -7.15 kcal/mol and -6.37 kcal/mol, respectively. Procyanidin interacts with the amino acid residues Ala508, Arg609, Arg758, Asn765, Asp530, Glu512, His446, and Met505, while quercetin binds to Arg758, Asp530, Glu512, and Glu524. These results highlight the potential of quercetin and procyanidin as candidates for the development of TRPC6-targeted treatments for diabetic neuropathy. This study lays the groundwork for the creation of new, effective, and safe diabetic neuropathy medications.

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Journal Info

Abbrev

pharmrep

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology

Description

Pharmacy Reports is an open-access journal publishing peer-reviewed research in the pharmacy field, covering topics in pharmaceutics, biomedicine, pharmaceutical chemistry, bioinformatics, natural product, pharmacology and toxicology, and clinical pharmacy. Pharmacy Reports invites you to submit ...