In silico ADME and Pharmacodynamic screening methods in stroke.

      Аннотация: In silico approaches mainly focuses on the selection of the best molecule(s) to synthetize, purchase, or promote at a further stage of a drug discovery process by fast screening methods. In silico study indicates that the selected compounds secured good docking score so they may be pharmacologically active, absorb orally as they obey Lipinski’s rule of five and they would be a safe and drug like compound. The future prospect would be the selected ligands to be synthesized and studied for in silico and in vitro / in vivo correlations.

Ключевые слова: Stroke, In silico pharmacokinetic screening, LD50 study, PASS, Molecular Docking, NMDA receptor, COX-2 enzyme, PGI2 synthase enzyme, Lipinski’s rule of five.