AbstractDrug development and discovery failures are attributed to poor pharmacokinetics, bioavailability, efficacy and toxicity. By monitoring the physicochemical properties of lead compounds, it has become feasible to increase the quality of drug candidates. Toxicity determination of chemicals is crucial to identify their deleterious effects on humans, Animals, plants and the environment. Numerous Insilico models are thus developed for the prediction of Absorption, Distribution, Metabolism,
Excretion (ADME) properties at the early stages of drug discovery to decrease the fraction of global pharmacokinetics related failures in the later phases of drug development. Dihyropyrimidinone derivatives possess a broad spectrum of biological activities like Antibacterial, Antifungal, Antiviral, Anticancer Antihypertensive activities. The objective of this study is to predict Pharmacokinetic, drug likeness properties and toxicity of Dihydropyrimidinone derivatives by using Swiss adme, PKCSM, Lazar and Pro toxsoftware’s. All the compounds followed the Lipinski ‘Rule of five’ and showing good oral bioavailability. All the compounds were nontoxic except for Compound F6 which showed hepatotoxicity and reproductive toxicity.
Keywords: Dihydropyrimidinone derivatives; adme; Swiss ADME; PkCSM; Lazar; Protox.