ADME-Toxpredictions of 3-benzimidazol-1-yl-1-(4-phenyl piperazine -1-yl) propan-1-one and their derivatives
- 1S.N.Vanita Pharmacy Mahavidyalaya, Tarnaka, Hyderabad-500007, Telangana, India
- 2S.N.Vanita Pharmacy Mahavidyalaya, Tarnaka, Hyderabad-500007, Telangana, India
- 3Faculty of Pharmacy, Osmania University, Hyderabad- 500007 Telangana, India
- 4Department of Chemical Engineering, Dire Dawa Institute of Technology, P.box.1362, Dire Dawa University, Ethiopia
Res.J.chem.sci., Volume 11, Issue (1), Pages 1-9, February,18 (2021)
A novel approach introduces early, parallel evaluation of efficacy and biopharmaceutical Properties of drug candidates. Knowledge regarding pharmacokinetics, toxicity would be helpful for producing an effective drug so in early stage of drug development ADMET properties are to be considered. Toxicity determinations of chemicals are essential to recognise deleterious effects on humans, animals, plants, or the environment. Insilco models are used for prediction of ADMET properties for reduction of time, costs and animal experiments. The objective of this study was to obtain drug likeness and low toxicity of 3-benzimidazol-1-yl-1-(4-phenylpiperazine -1-yl) propan-1-one. The 2D structures were generated using the chemdraw application. The Swiss ADME, PkCSM, Lazar and Protox applications were used to predict pharmacokinetics, toxicity properties, and end point carcinogenicity. Compounds are adept to break through the BBB except compound B to affect the CNS and they are predicted for the enzymes of the cytochrome P450. They are predicted to be substrates for the P-gp protein and showing good oral bioavailability. The investigated compounds reveal that carcinogenic potential and hepatotoxicity.
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