Anti-Diabetic Activity of Bioactive Compound Extracted from Spondias mangifera Fruit: In-Vitro and Molecular Docking Approaches

Abstract

Spondias mangifera is a drupaceous fruit popular for its flavour and health advantages. There is little scientific knowledge about S. mangifera, despite its widespread usage in traditional medicine, in the North-Eastern region of India. Inhibiting the key carbohydrate hydrolysing enzymes is one of the strategies for managing diabetes. Therefore, this study studied the antioxidant and anti-diabetic properties of different fraction S. mangifera fruit extract (SMFFs) from Indian geographical origin by in vitro experimental assays and silico docking simulation studies. The ADMET prediction for active substances was also investigated using the AdmetSAR database. Based on the binding affinity/molecular interactions between phytocompounds and target enzymes, in silico investigations were done to confirm the in vitro enzymatic inhibitory capability. β-sitosterol in EtOH-F was analysed using RP-HPLC with RP-C18 column as stationary phase and photo diode array detector. The percentage of β-sitosterol was found to be 1.21% ± 0.17% of total weight of extract (w/w). S. mangifera fruit ethanolic extract had a significant inhibitory concentration of 50% against free radicals produced by ABTS (89.71 ± 2.73%) and lipid peroxidation assay (88.26 ± 2.17%) tests. Similarly, the in vitro antidiabetic test findings indicated that S. mangifera inhibited alpha-amylase (73.42 ± 2.01%) and alpha-glucosidase (79.23 ± 1.98%) enzymes dose-dependently. The maximum glycosylated Hb percentage inhibitory activity shown in the ethanolic fraction was (83.97 ± 2.88%) at 500 µg/mL. The glucose uptake of the ethanolic fraction by the yeast cell showed significant (p < 0.05) at 500 µg/mL when compared with metformin (91.37 ± 1.59%), whereas the other fraction did not show the uptake of glucose by the yeast cell at the same concentration. In the docking study, the main phytoconstituents of S. mangifera fruit, such as oleanolic acid, beta-sitosterol, and beta amyrin, show strong affinity for pancreatic α-amylase. These results imply that S. mangifera has α-amylase and α-glucosidase inhibitory properties and may be used as antidiabetic with antioxidant characteristics.

Ameliorative Sexual Behavior and Phosphodiesterase-5 Inhibitory Effects of Spondias mangifera Fruit Extract in Rodents: In Silico, In Vitro, and In Vivo Study

“…MD simulations for compounds were run by the package systems of molecular Dynamic (MD) Simulation GROMACS 2018.1, as previously reported [30]. Docked β-amyrin and co-crystallized sildenafil in complex with Phosphodiesterase-5 (PDE5) (PDB ID: 2H42) were simulated by an OPLS-AA all-atom force field using the TIP3P water model.…”

“…The evidence in the literature of the use of nutraceuticals for erectile dysfunction is encouraging but preliminary [29]. S. mangifera fruit extract has antioxidant potential and exhibits significant activity against the alpha-glucosidase enzyme [30]. This provides substantial evidence for using S. mangifera fruits to treat diabetes mellitus, as in diabetic individuals, hyperglycemia leads to sperm abnormalities and even erectile dysfunction [31,32].…”

Hypoglycemic and antioxidant potency of ethyl acetate fraction of hydro-methanolic extract (60:40) of Tamarindus indica Linn. seed in streptozotocin-induced diabetic experimental animal

“…Possible antidiabetic and anti-ioxidative properties of ethyl acetate fraction obtained from hydro-methanolic (60:40) extract of T. indica might be due to the presence of phenolic compounds, flavonoids, terpenoids, steroid and alkaloids. The active bioactive principles derived from this fraction acts with the help of several antidiabetic and antioixidative mechanisms by inhibiting α-amylase, α-glycosidase and protein tyrosine phosphatase activities (Hossain et al, 2020, Khalid et al, 2022. The other possible ways include stimulation of existing βcells of islets of langerhans for releasing insulin, increase hepatic glycogen level, increase glucose oxidation, elevated glucose uptake by peripheral tissues along with diminution of hepatic gluconeogenesis and intestinal glucose absorption.…”

The Structural, Biological, and In-Silico Profiling of Novel Capryloyl Tetra-Glucoside and Aliphatic Ester Constituents from the Abutilon indicum Offers New Perspectives on the Treatment of Pain and Inflammation

“…These files were then imported to Maestro 9.0 workspace and subjected to ligand preparation. Once the ligands had been prepared, these were subjected to the Qikprop tool for absorption, distribution, metabolism, excretion and toxicology (ADMET) profiling [ 30 , 31 ].…”