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Insight into the alpha-glucosidase inhibitory potentials of Curcuma longa methanolic extracts and phytochemicals: An in vitro and in silico study
1 , 2 , 2 , 3 , * 2
1  Department of Genetics and Biotechnology, University of Nigeria, Nsukka, Enugu State, 410001, Nigeria
2  Department of Biochemistry, Faculty of Biological Sciences, University of Nigeria, Nsukka
3  Department of Chemistry, Faculty of Sciences, Ekiti State University, Ado-Ekiti
Academic Editor: Antonello Santini

Abstract:

Diabetes is a metabolic disease of global concern, causing death due to triggered oxidative and inflammatory complications. Alpha-glucosidase has become a popular drug target for managing diabetes. This study, therefore, investigated the potential of Curcuma longa (Tumeric) rhizome methanolic extract (MECL) to inhibit Alpha-glucosidase and screened its phytochemical library through molecular biology docking for potential new drug candidates. Quantitative phytochemical analysis of MECL showed that the plant extract was abundant with phenols (790.32 ± 129.20 mg/100g), alkaloids (494.99 ± 1.27 mg/100g), flavonoids (171.08 ± 0.04 mg/100g) and terpenoids (131.99 ± 6.59 mg/100g). Moreover, in vitro inhibitory studies showed a dose-dependent increase in the inhibition of alpha-glucosidase by MECL, and the maximum inhibition (37.01%) was observed at 30 µg/ml, possibly a better inhibition with increased concentration. Further scrutiny was performed using molecular docking to screen for Turmeric phytochemicals (retrieved from PubChem) with alpha-glucosidase (PDB ID: 3W37) inhibitory potentials. Based on their binding affinity, the Top three compounds [Guaiacol (-7.422), Eriodictyol (-5.266,) and p-Tolyl-MethylCarbinol (-3.939)] were analyzed for their intermolecular interactions in the binding pocket of alpha-glucosidase and ADMET properties; and compared to the standard drug, Acarbose (-9.522). Interestingly strong and weak interactions, such as hydrogen bonding, pi-pi stacking, and charged and hydrophobic interactions, were observed with Guaiacol in the binding pocket of alpha-glucosidase. Although Acarbose had a better docking score, Guaiacol showed better ADMET (including Physiochemical, drug-likeness, and pharmacokinetic) properties. Future studies could evaluate those potential anti-diabetes drug candidates against other targets and analyze them through in vivo experiments.

Keywords: Alpha-glucosidase; Tumeric; Phytochemicals; Molecular Docking; Guaiacol; ADMET
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