IIARD International Institute of Academic Research and Development

INTERNATIONAL JOURNAL OF CHEMISTRY AND CHEMICAL PROCESSES (IJCCP )

E-I SSN 2545-5265
P- ISSN 2695-1916
VOL. 10 NO. 6 2024
DOI: 10.56201/ijccp.v10.no6.2024.pg17.39

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Avocado Fruit Peel as a Source of Antidiabetic drugs: Evidence from Molecular Docking Studies and ADMET Profiling

Ibironke, A., Abdul-Hammed, M. Bello, M.O., Ismail, U.T. and Oladepo, M.A.

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Abstract

Diabetes mellitus is a long-term metabolic disorder characterized by persistent hyperglycemia, which can lead to various health problem if left untreated. The quest for new, more effective, and safer anti-diabetic therapies continues, with a growing interest in natural compounds derived from medicinal plants. Among the promising natural sources, the avocado fruit has garnered attention for its potential antidiabetic properties. Avocado peel was earlier reported to have higher alpha- amylase inhibitory activities compared to other part of the fruit, thus suggested to possess antidiabetic properties. Reported phytochemicals isolated from Avocado peel were subjected to screening via molecular docking simulation using PyRx docking tool for visualization against alpha-amylase and human glucosidase enzyme and ADMET profiling. The docking scores with ADMET profiling reported three of the screened ligands: rutin (-9.4 kcal/mol), epigallocatechin gallate (-9.3 kcal/mol), and delphinidin-3-O-glucoside (-9.0 kcal/mol) as very effective potential drug candidates as compared to the conventional medications of diabetes, glipizide (-8.1 kcal/mol) and biguanide (-5.0 kcal/mol) against human glucosidase (2QMJ). Rutin (-7.9 kcal/mol) also exhibited excellent ADMET properties and was found to be more potent against alpha-amylase (3IJ7) compared to glipizide (-7.8 kcal/mol) and biguanide (-4.3 kcal/mol). These studies reveal the anti-diabetic activities of avocado peel to be linked to the presence of rutin, epigallocatechin gallate and delphinidin-3-O-glucoside and therefore recommends these compounds for additional in vivo animal studies and clinical trials to aid in the development and formulation of new anti- diabetic drugs.

keywords:

Diabetes mellitus, Alpha-amylase, Human glucosidase

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