Biochemistry
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Item : IN-SILICO INHIBITION OF LIGANDS FROM ETHANOLIC EXRACT OF Monodora tenuifolia SEED AGAINST α-AMYLASE AND α-GLUCOSIDASE IN DIABETES(2022) RAJI, HAMEEDAH OJUOLAPEDiabetes mellitus which describes a cluster of metabolic disorders defined by elevated glucose levels may rise to 693 million worldwide from its current figure of 451 million in the next 25 years with the majority of this increase coming from Sub-Saharan Africa. There are numerous researches centred on discovering alternatives to current management options from plants. One of such plant is Monodora tenuifolia. It is a tropical tree of the Annonaceae family of flowering plants with several secondary metabolites of different pharmacological activities. In this study, in silico inhibitory effect of ligands obtained from the plant on two proteins (α-Amylase and α-Glucosidase) important in diabetes was evaluated. A total of sixteen (16) compounds were obtained from the ethanolic extract of Monodora tenuifolia seed using Liquid Chromatography-Gas Spectrometry (LCMS). Their relative binding affinities and 2D interactions were compared with selected standard ligands, maltose and miglitol against α-Amylase and α-Glucosidase respectively. Amino-hydroxy-[4-(methylamino) butyl-(2-methylpropanimidoyl) amino] azanium exhibited same binding affinity (-6.6 kcal/mol) as the standard compound (maltose) towards α-Amylase and a higher binding affinity of -6.3 kcal/mol towards α-Glucosidase than the standard miglitol (-4.6) at same binding pocket. The higher binding affinity could be attributed to the presence of conventional hydrogen bond, carbon-hydrogen bond for α-Amylase and conventional hydrogen bond, Pi-sigma interaction for α-Glucosidase. The compound could be explored further as lead to obtaining suitable inhibitors of α-Amylase and α-Glucosidase.