Maryam Ado Mahmud1*, Ali Abdullahi Damasak2, Hamsatu Mohammed Malut3, Mustafa Alhaji Isa4 and Yagana Shettima Abba5
1Department of Biochemistry, Yobe State University, Nigeria
2Department of Nutrition and Dietetics, University of Maiduguri, Nigeria
3Department of Biological Sciences, Borno State University, Nigeria
4Department Microbiology, University of Maiduguri, Nigeria
5Department of Biochemistry, University of Maiduguri, Nigeria
*Corresponding author’s Email: maryamadomahmud101@gmail.com, doi.org/10.55639/607.02010051
ABSTRACT
Diabetes mellitus is a metabolic condition characterized by abnormal blood sugar levels. Targeting starch hydrolyzing enzymes and glycogen synthase kinase-3β is one of the key strategies to lower the risk of type 2 Diabetes mellitus. Bougainvillea spectabilis Willd leaves extract have been reported to have antidiabetic properties. In this study, GC-MS analysis was carried out and antidiabetic activity of the identified phytocompounds was checked by molecular docking method against α-amylase, α-glucosidase and glycogen synthase kinase-3β using AutoDock 4.0 program, Swiss ADME was used to analyze the physicochemical and pharmacokinetic properties of the compounds. GC-MS analysis showed the presence of seventeen phytocompounds, compounds with desirable physicochemical and pharmacokinetic properties were docked into the active site of the target proteins. Docking results revealed that among all 1-hexyl-2 Nitrocylohexane (-6.44 Kcal/mol), 2-Isopropyl-5-methylcyclohexyl-3 (-1-(4-Chlorophenyl)-3-Oxobutyl)-Coumarin-4-y Carbonate (-7.21 Kcal/mol) and Decahydro-1-naphthalenol (-4.91 Kcal/mol) have the highest binding affinity for α-amylase, α-glucosidase and glycogen synthase kinase-3β respectively. Overall, using the in silico approaches it was predicted that Bougainvillea spectabilis Willd leave extract contain potential phytocompounds with diverse antidiabetic properties.
Keywords:
Diabetes mellitus,
Bougainvillea spectabilis,
α-amylase, glucosidase