Abstract

THEORETICAL INVESTIGATION ON THE DRUGGABILITY OF PICRIC ACID

K.K.Srivastava*, ShubhaSrivastava, Md. TanweerAlam, Rituraj

ABSTRACT

Druggability and toxicity of picric acid have been computed with the help of ADMET and quick prop programs of Discovery Studio and Shrodinger software.Biological activity like anti-Fungal, antimicrobial and toxicity nature of picric acid, it was thought to predict the theoretical activity computationally using TOPKAT model and quick prop.NTP Carcinogenicity Call (Male Rat) ,NTP Carcinogenicity Call (Female Rat) NTP Carcinogenicity Call (Male Mouse), NTP Carcinogenicity Call (Female Mouse), FDA Carcinogenicity Male Rat Non vsCarc, FDA Carcinogenicity Male Rat Single vsMult, FDA Carcinogenicity Female Rat Non vsCarc for the picric acid were computed by comparing with the fragmenting of similar compounds. The ADMETdescriptionplot indicates that picric acid no absorption in human intestinal and has a very low blood brain penetration.

Keywords: Picric acid, toxicity, druggability , carcinogenicity, ADMET, TOPKAT