Omega-3 fatty acids in the management of FTO-mediated obesity: Molecular docking and ADMET profiling

Title : Omega-3 fatty acids in the management of FTO-mediated obesity: Molecular docking and ADMET profiling

Abstract:

Prebiotics are small molecules found in food that benefit our health through gut homeostasis. Around the globe there is ample research on prebiotics, including omega-3 fatty acids, for their potential health promotion and diseases prevention. The current study has been designed to explore the inhibitory capacity of three omega-3 fatty acids: alpha-linolenic acid (ALA), docosahexaenoic acid (DHA), eicosapentaenoic acid (EPA) against fat mass and obesity-associated protein (FTO) as the obesity-target through molecular docking in silico. Displaying different interactions with several amino acid residues of FTO, the omega-3 fatty acids ALA, DHA and EPA had good binding affinity towards the protein with binding energy -6.0, -6.5 and -6.1 kcal/mol, respectively. All the three omega-3 fatty acid molecules obeyed Lipinski’s rule of five with one violation (logP >5) and showed high gastro-intestinal absorption property, while ALA and EPA showed blood-brain-barrier permeability. Overall, this study signifies the usefulness of omega-3 fatty acids (ALA, DHA and EPA), particularly the DHA with lowest binding energy (-6.5 kcal/mol), in the management of obesity and associated disorders.  

Biography:

Shyamapada Mandal is Professor and Head of the Department of Zoology, and Dean (Science), University of Gour Banga, India. He is interested on infectious diseases, probiotics, and genomics and bioinformatics research. He did pre-PhD, PhD, and post-PhD research under the guidance of Professor Nishith Kumar Pal at Calcutta School of Tropical Medicine, India. He has published 118 articles with eight book chapters. He is life member of IAMM and IASR, India, and fellow member of SASS, India. Eight national academic and research awards have been conferred to him. He has guided 52 post graduate students; supervised three MPhil and three PhD students, and supervising 6 PhD and one MPhil students. Professor Mandal is among the world’s top 2% scientists as per the survey of the Stanford University, published in PLOS (Public Library of Science) Biology (October, 2020). He is featured in the top 2% world scientists list for second consecutive time as published by the Stanford University-Elsevier BV (October, 2021).