Vol. 8, Issue 11, Part I (2024)

In-silico exploration of molecular interactions between stigmasterol from the methanolic extract of Macrotyloma uniflorum and proteins associated with lipid metabolism

Author(s):

M Bhuvana, K Vijayarani, S Ramesh, A Mangala Gowri and PSL Sesh

Abstract:

Macrotyloma uniflorum (horse gram or Kulthi bean) is an overlooked yet valuable legume with known medicinal properties, particularly in managing metabolic disorders like diabetes and obesity. Primarily cultivated in South Asia, with India as its largest producer, M. uniflorum remains underexplored scientifically. This study investigates its phytochemical profile using GC-MS analysis and evaluates the potential therapeutic effects of its bioactive compounds on lipid metabolism-related proteins through molecular docking. GC-MS analysis of methanolic extracts revealed 31 phytoconstituents, with stigmasterol as a major component (5.53% peak area). Molecular docking studies indicate that stigmasterol binds significantly to key lipid-regulating proteins, including Peroxisome proliferator-activated receptor alpha (PPAR-α) and Cholesterol 7 alpha-hydroxylase (CYP7A1), with binding energies of -8.1 and -8.7 kcal/mol, respectively. Stigmasterol exhibited favorable hydrophobic interactions and hydrogen bonding, notably involving MET 220 on PPAR-α (2.378 Å) and ASN126 on CYP7A1 (2.863 Å), suggesting a role in triglyceride reduction and cholesterol excretion. These findings propose stigmasterol in M. uniflorum as a promising candidate for lipid metabolism regulation and obesity management, warranting further in vitro and in vivo investigation.

Pages: 700-705  |  104 Views  46 Downloads

How to cite this article:
M Bhuvana, K Vijayarani, S Ramesh, A Mangala Gowri and PSL Sesh. In-silico exploration of molecular interactions between stigmasterol from the methanolic extract of Macrotyloma uniflorum and proteins associated with lipid metabolism. Int. J. Adv. Biochem. Res. 2024;8(11):700-705. DOI: 10.33545/26174693.2024.v8.i11i.2942