In-silico antiobesity activity of Lagerstroemia speciosa (L.) bioactive compounds by targeting transcriptional regulators PPAR-γ, C/EBP-α, and FABP-4/ap-2 genes
Year: 2025
Type: article
Abstract: Obesity has emerged as a major health issue worldwide. Current research mainly focuses on how small bioactive compounds can influence the mechanism of transcription regulatory factors involved in the fat accumulation and weight gain process. Lagerstroemia speciosa plant is commonly used in traditional systems of medicine to combat obesity and diabetes. It contains major bioactive compounds, viz. pregnenolone, corosolic acid, fenretidinide, norlargerenol acetate, maslinic acid, olenoic acid and beta-sistosterol. The present study was undertaken to elucidate the role of L. speciosa bioactive compounds in obesity control by targeting FABP-4/ap-2, C/EBP-α, and PPAR-γ transcription factors that play a significant role in adipocyte biology and metabolism. The present study screened twenty-nine bioactive compounds against three targets using Autodock Vina, Autodock Tools. Discovery Studio was utilized to visualize the targeted proteins' ligand and amino acid interaction. In silico approach showed that screened bioactive compounds downregulate the expression of targeted transcriptional regulatory genes involved in the adipocyte differentiation mechanism. Pregnenolone, a major bioactive compound, scored binding free energy of -6.34, -7.58, and -6.22 kcal/mol with C/EBP-α, PPAR-γ, and FABP-4, respectively, compared to standard drug. Findings showed that these bioactive compounds play a crucial role in regulating adipogenesis and differentiation genes, proving their therapeutic importance as antiobesity agent. Although these findings are encouraging, extensive in vivo studies are essential to confirm efficacy, ensure safety, and investigate the therapeutic potential of these compounds for obesity treatment.
Authors: Tarsem Nain, Kajal Nagre, Navpreet Kaur, Shammi Sharma, Neha Chawariya, Santosh Kumar Tiwari, Jaya Parkash Yadav
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4411749870