Lipase activity inhibited by aloenin A: Glycoside from Aloe vera (L.) Burm. f.—In vitro and molecular docking studies. Issue 2 (14th December 2022)

• Record Type: Journal Article
• Authors: Deora, Neha; Venkatraman, Krishnan
• Is Part Of: Journal of molecular recognition. Volume 36:Issue 2(2023)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-12-14
• Subjects: Aloe vera -- aloenin A -- enzyme kinetics -- lipid metabolism -- molecular docking -- obesity -- pancreatic lipase; Molecular recognition -- Periodicals; Models, Molecular -- Periodicals; Molecular Conformation -- Periodicals; Molecular Sequence Data -- Periodicals; Molecular Structure -- Periodicals; Carrier Proteins -- Periodicals; 572.8
• DOI: 10.1002/jmr.3002
• Languages: English
• ISSNs: 0952-3499

Abstract

Abstract: Obesity is taking over many parts of the world and has been identified as the second leading cause of preventable death, with a dramatic increase in prevalence over the last two decades. Pancreatic lipase is a lipid‐digesting enzyme that plays an important role in fat metabolism. Inhibiting pancreatic lipase is an attractive target for obesity treatment. Phytochemicals or bioactive compounds/extracts isolated from medicinal plants offer a promising platform for the development of pancreatic lipase inhibitors. This study aims to characterize and investigate the effect of aloenin A, glycoside found in Aloe vera, as a possible inhibitor of pancreatic lipase in vitro and in silico. A. vera extract had an IC50 value of 0.5472 μg/ml, whereas aloenin A had an IC50 value of 14.95 μg/mL and was found to inhibit in a competitive manner. These findings were supported by molecular docking studies, which revealed that aloenin A binds to the substrate binding site with a binding energy of − 7.16 kcal/mol, and this binding site is stabilized by three hydrogen bonds contributed by Phe 77 and Asp 79 . Our findings suggest that the anti‐hyperlipidemic effects of A. vera on pancreatic lipase can be attributed in part to the presence of aloenin A. Abstract : Molecular interaction of Aloenin A with pancreatic lipase.