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Quantum Chemical and Pharmacokinetic Studies of some Proton Pump Inhibitor Drugs | Biomed Grid

Journal: American Journal of Biomedical Science & Research (Vol.2, No. 1)

Publication Date:

Authors : ; ;

Page : 3-8

Keywords : Proton-pump inhibitor; Density functional theory; Thermochemistry; HOMO-LUMO; Pharmacokinetic; Biomed Grid;

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Proton-pump inhibitor (PPIs) drugs are widely used in the treatment of gastric diseases. Almost all PPI drugs have some side effects depend on the physical condition and limit of doses. In this study, the physicochemical and pharmacokinetic studies of Omeprazole, Esomeprazole, Lansoprazole and Pantoprazole have been investigated. Density functional theory (DFT) with B3LYP/3-21g basis set has been employed to optimize the geometry and to elucidate their thermochemical, molecular orbital, molecular electrostatic potential properties. Pharmacokinetic parameters are also investigated to compare their absorption, distribution, excretion, metabolism, and toxicity.

Last modified: 2019-05-20 18:44:31