In Vitro Antidiabetic, Anti-Obesity and Antioxidant Analysis of Ocimum basilicum Aerial Biomass and in Silico Molecular Docking Simulations with Alpha-Amylase and Lipase Enzymes

Abstract

The present study explored phytochemicals, porcine pancreatic α-amylase (PPA) and lipase (PPL) inhibitory activities and antioxidant potential of polar and nonpolar extracts of the leaves and flowers of Ocimum basilicum and the in-silico mode of interaction between these enzymes and the major chemical constituents of the herb. The hexane extract (HE) and hydro-ethanolic extract (EE) obtained sequentially were used to estimate PPA and PPL inhibitory and antioxidant activities, total phenolic content (TPC) and total flavonoid content (TFC). Chemical constituents of the essential oils and HE were determined by GC-MS (Gas Chromatography-Mass Spectrometry). For PPA inhibition, IC50 (µg/mL) of the extracts were 0.27–0.37, which were close to 0.24 of acarbose, while for PPL inhibition, IC50 (µg/mL) of the extracts were 278.40–399.65, and that of Orlistat 145.72. The flowers EE was most potent antioxidant followed by leaves EE. The leaves EE had highest TPC and TFC followed of flowers EE. The essential oil of flowers had higher estragole (55%) than linalool (37%), while the essential oil of the leaves had higher linalool (42%) than estragole (38%). The HE of the flowers contained higher estragole (42%) than linalool (23%), while of the HE of the leaves too had higher estragole (65%) than linalool (18%). The in-silico molecular docking study showed linalool and estragole to have considerable PPA and PPL binding potential, which were further investigated through molecular dynamics simulations and binding free energy calculations. The PPA and PPL inhibitory activities of O. basilicum extracts and their notable antioxidant potential propose the herb as a multi-target complimentary medicine for diabetes, obesity and oxidative stress.

Potential Acetylcholinesterase, Lipase, α-Glucosidase, and α-Amylase Inhibitory Activity, as well as Antimicrobial Activities, of Essential Oil from Lettuce Leaf Basil (Ocimum basilicum L.) Elicited with Jasmonic Acid

“…In many studies, basil essential oil was shown to act as an antidiabetic, anti-obesity, and anti-Alzheimer's agent [14,20]. There are many investigations confirming that such compounds of essential oils as eugenol, linalool, 1,8-cineole, and β-pinene (present in basil essential oil analyzed in the present study) possess many biological activities connected with anti-diabetic and neuroprotective action [12,21].…”

“…However, the correlation analysis confirmed only a moderate positive correlation between the anti-α-amylase activity and the linalool content in the essential oils tested, R 2 = 0.44 (data not published). The in vitro antidiabetic and anti-obesity properties of basil essential oils were also confirmed in a study conducted by Noor et al [20]. Their ability to suppress endogenous glucose release was found to contribute to the inhibition of glycogenolysis and/or stimulation of glycogenesis.…”

Promising terpenes as SARS-CoV-2 spike receptor-binding domain (RBD) attachment inhibitors to the human ACE2 receptor: Integrated computational approach

“…All of the crystalline compounds were detached from the RBD structure prior to docking. The RBD structure was prepared using AutoDock tools [ 39 , 42 ]. Gassteiger charges were optimized and Polar hydrogens were added.…”

Anti-Obesity Attributes; UHPLC-QTOF-MS/MS-Based Metabolite Profiling and Molecular Docking Insights of Taraxacum officinale

“…The inhibition of pancreatic lipase shown by plant extracts was likely ought to presence of secondary metabolites. The structural features of secondary metabolites or phytochemicals have the ability to bind with the amino acid residues of proteins to restrict their functions [29]. The pancreatic lipase is a potential pharmacological target to control obesity and does not involved complex mechanism of operation.…”