In Silico Adme And Toxcity Studies Of Some Synthsized Novel Isatin Derivatives

Abstract

Due to ever growing need of lead modification and repositioning of various drug molecules; in-silico drug design techniques are being considered as the most economical and high through put screening methods. The present study shows not only the importance of Isatins as antimicrobials but also tries to identify and filter useful data pertaining to structural peculiarities which are in turn useful for pharmacological and medicinal predictions. From the present study, it is observed that all the compounds are predicted to have oral bioavailability, considerable chances of human intestinal absorption, and has no BBB penetrations. Available LD₅₀, LC₅₀, LOAEL values suggest that the molecules are safe for the further evaluations. Also from the available data generated by in-silco experimentation, it is predicted that compound 3B have considerable pharmacological profile for further developments.