Computational Screening of Phytochemicals from Trigonella foenum-graecum as Potential Inhibitor of Alpha-Amylase and Maltase-Glucoamylase in Treatment of Type 2 Diabetes
Simbo T. Akinsulure *
Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
Oluwadamilola P. Alao
Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
Damilola S. Bodun
Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
*Author to whom correspondence should be addressed.
Abstract
Introduction: Diabetes mellitus is a major illness suffered by several individuals, a metabolic dysfunction of glucose that leads to life-threatening complications. Type 2 diabetes is a combination of insulin action resistance, insufficient insulin production, and excessive glucagon secretion.
Aim: Numerous medications have been developed to manage diabetes mellitus by inhibiting various glucose metabolism enzymes and transporter proteins. However, the several adverse effects and high cost of treatment cannot be ignored. Thus, discovering and designing a small-molecule inhibitor with minimal side effects targeting vital proteins linked to glucose metabolism is essential.
Methodology: This study utilizes a computer-aided drug design approach to identify bioactive compounds from Trigonella foenum-graecum with inhibitory potential against alpha-amylase and maltase-glucoamylase, which are glucose-metabolizing proteins. The compounds retrieved from the PubChem database were screened against the protein retrieved from the Protein Data Base using molecular docking analysis, binding energy study, and ADME Toxicity Screening.
Result: Inositol, Isovitexin, Luteolin, Miglitol, Mimosine, Quercetin, Riboflavin, and Vitexin were identified to have high inhibitory potentials. These compounds showed impressive binding to the target proteins and admirable double-action inhibition of the proteins. The ADME Toxicity screening of the compounds also revealed that they are good drug candidates.
Conclusion: The lead compounds are potential inhibitors of Alpha-Amylase and Maltase-Glucoamylase. Further preclinical investigation is advised to validate this study.
Keywords: Type 2 diabetes, small-molecule inhibitor, Trigonella foenum-graecum, computer-aided drug design, alpha-amylase, maltase-glucoamylase