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Computer-aided Drug Design and Drug Pharmacokinetic Prediction: A Mini-review

[ Vol. 24 , Issue. 26 ]

Author(s):

Jamshid Tabeshpour, Amirhossein Sahebkar*, Mohammad Reza Zirak, Majid Zeinali, Mahmoud Hashemzaei, Sajed Rakhshani and Saleh Rakhshani*   Pages 3014 - 3019 ( 6 )

Abstract:


Prediction of pharmacokinetics and drug targeting is a challenge in drug design. There are different types of software that can help to predict the pharmacokinetic profile of a drug. Quantitative structure-activity relationship (QSAR) modeling is used for drug design with less cost. Drug-excipient interactions are predicted by docking tools. Computerized drug target prediction and docking programs offer additional options to predict potential effects and adverse reactions of a given candidate as well as the best orientation of the compound on the receptor active site. Information on the absorption, distribution, metabolism and excretion of the drug in the body can enhance prediction of drug release and distribution in the blood and central nervous system (CNS). Computer- aided drug design and delivery can help to save the time and cost in the process of rational drug development.

Keywords:

In silico, ADMEt, pharmacokinetic, drug design, quantitative structure-activity relationship (QSAR), central nervous system (CNS).

Affiliation:

Department of Pharmacodynamics and Toxicology, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Neurogenic Inflammation Research Center, Mashhad University of Medical Sciences, Mashhad, Department of Pharmacodynamics and Toxicology, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Department of Pharmacodynamics and Toxicology, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Department of Pharmacology and Toxicology, Faculty of Pharmacy, Zabol University of Medical Sciences, Zabol, Department of Telecommunication, School Electronic engineering, Kerman Graduate University of Advanced Technology, Kerman, Department of Pharmaceutics, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad



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