In silico studies on biochemical modulation of dgat analogs and antiobesity biomarkers

Obesity is a pathological condition, in which, excess body fat accumulates to the extent, probably, having an adverse effect on health leading to reduced life expectancy and/or increased health problems. Some dietary components show promise in the treatment of obesity, one of which is oil rich in Diacylglycerols (DAGs). Excess body weight is the consequence of an imbalance between energy intake and energy expenditure that is stored as triacylglycerol (TAG) in adipose tissue. Triglyceride synthesis has been assumed to occur primarily through acyl CoA: Diacylglycerol transferase (DGAT), a microsomal enzyme that catalyses the final and only committed step in the glycerol phosphate pathway. Therefore, DGAT has been considered indispensable for adipose tissue formation and essential for survival. The genes encoding two DGAT enzymes, DGAT 1 and DGAT 2 were identified in past decade. Both enzymes may be useful as therapeutic targets for disease and controlling the over expression of triacylglycerides. The present study was undertaken to monitor the interaction between DGAT and previously discovered ligands by using Vlife MDS. Besides, the active sites of the enzyme and the residues involved were also validated through in silico experimentation. The data obtained from this study provide new insights into expression of high affinity of the ligands towards the receptor i.e. the enzyme and thus leading towards the possibility of developing a compatible biomolecule as confirmatory drug to treat obesity.