Anti-Tuberculosis Activity in Punica granatum: In silico Validation and Identification of Lead Molecules

Discovery of novel drug against tuberculosis is inevitable since resistant bacterial strains are evolved existing drugs and rapidly active single in short period necessary for effective treatment. When compared to synthetic drugs, natural particularly phytochemicals induce less side effects long term stability. In Indian traditional medicine, several plant species have been used treating each contains a plethora phytochemicals. The efficacy such treatment system identification the phytochemical with activity from plants has seldom investigated scientifically. this backdrop, authors validated anti-tuberculosis identified lead molecule widely disease including tuberculosis, viz Punica granatum L. four promising target proteins mycolyltransferase antigen protein 85C involved cord factor synthesis, filamentous temperature sensitive Z cell division, pantothenate kinase co-enzyme A pathway decaprenylphosphoryl β-D-ribofuranose-2 epimerase synthesis virulent arabinan were docked 243 derived granatum. molecules having binding energy ≤-6 kcal/ mol considered as active/hit molecules. results showed that out phytochemicals, 126 inhibitory on all selected proteins. Further docking study using Glide absorption, distribution, metabolism, excretion toxicity studies revealed compound lowers, pomegranatate can be recommended best tuberculosis.