IN SILICO ADME/TOX PROFILE STUDIES OF PHYTOCOMPOUNDS CATUNAREGAM NILOTICA

The study aimed at predicting the physicochemical, pharmacokinetics, drug-keness and toxicity of the compounds identified from the methanolic catunuragam spinosa plant extract. The physicochemical, pharmacoknetcs properties and bioactive scores of the compounds were predicted using SwssADME and Molinspration computational tools. Druglikeness of the compounds was evacuated based on the Lpnsk rule of five (Ro5). In silico mutagencity, carcnogencity and inhibition of human ether-a-go-go-related (hERG) gene were also investigated using PreADMET web too. The physicochemical properties showed the compounds adhere to Ro5. The evaluation of their inhibitory effects profile n several cytochrome P450 so forms indicate that all the compounds are not the inhibitors of CYP2C19 and CYP3A4 whereas some inhibited CYP1A2, CYP2C9 and CYP2D6 The drug-likeness evaluation employed Ro5 as a filter and all compounds complied with it. About 60% of the tested compounds were found to be safe as they did not exhibit antimutagenic and carcinogenic effects Moreover, the risk of inhibition of hERG gene revealed to below to medium risk depending on the compound. The calculated physicochemical and pharmacokinetic properties suggest that most of the compounds are safe and have promising oral bio-availability.