TheobromacacaoL.(Cocoa)podhusk as anewtherapy fortransientreceptorproteinvanilloid-1 (TRPV1)- targeteddiabeticneuropathy:Aninsilicostudy

Abstract

Theobroma cacao L. (cocoa) is one of the leading commodities found in Indonesia. Cocoa pod husk has many bioactive compounds with antinociceptive properties. One of the targets in treating pain, especially painful diabetic neuropathy, is the transient receptor potential vanilloid-1 (TRPV1). Aim: This study aimed to investigate the activity of active compounds from cocoa pod husk extracts against TRPV1 and their toxicity. Methods: Molecular docking was used to predict the activity of the test ligands, and the results were analysed with Molegro Virtual Docker 6.0. The TRPV 1 structure was taken from the Protein Data Bank (ID: 5IS0), with capsazepine as a native ligand. The toxicity prediction was evaluated using pkCSM. Results: The results showed that the active chemical compounds from cocoa pod husks with the strongest affinity for TRPV1 were phlorofucofuroeckol-A (-95.7785 ± 1.868), catechins (-92.6868 ± 2.681), 7-phloroeckol (-91.9788 ± 0.356), and resveratrol (-91.1921 ± 0.579), and the safest compounds were catechins, resveratrol, and 7-phloroeckol. Conclusion: Catechins, resveratrol, and 7- phloroeckol from cacao pod husks are safe and potential therapy for diabetic neuropathy.