Drug Design against Obesity Using Computer Aided Approach

Abstract

Obesity and overweight is abnormal or excessive fat deposition that leads to risk of health. Obesity associated diseases such as diabetes mellitus, coronary heart disease and certain forms of cancer are a greatest challenge for our society. Among various strategies to combat obesity, preventing nutrient digestion and absorption was one of the effective strategies for obesity treatment. Pancreatic Lipase is one of the target aimed to fight against obesity because it plays an essential role in digestion of triacylglycerols. Pancreatic lipase inhibition can block fat absorption in the gastrointestinal tract so that can control obesity. Several classes of substances inhibit activity of pancreatic lipase including flavonoids, saponins and substance of microbial sources such as lipstatin. We use flavonoids and lipid compoundsin this comparative study as pancreatic lipase inhibitor. Flavonoid are bioactive compounds synthesised by plants, act as antioxidants to prevent diseases. In this study we have used a library of compounds and screened them using in silico tools and obtained few compounds having anti obesity activity and validation of docking results was done using molecular dynamic simulation.