Considering the urgent need for novel therapeutics in ongoing COVID-19 pandemic, drug repurposing approach might offer rapid solutions comparing to de novo design. In this study, we designed an integrative silico selection of potential candidates against SARS-CoV-2 Main Protease (Mpro). To screen FDA-approved drugs, implemented structure-based molecular modelling techniques, physiologically-bas...

From St. Jude Children’s Research Hospital and the University of Tennessee Colleges of Pharmacy and Medicine, Memphis (W.E.E.); and Washington University Medical School, St. Louis (H.L.M.). Address reprint requests to Dr. Evans at St. Jude Children’s Research Hospital, 332 N. Lauderdale St., Memphis, TN 381010318, or at [email protected]. t is well recognized that different patients resp...

Recent analyses demonstrated that metabolites are unlikely to contribute significantly to clinical inhibition of cytochrome P450 (P450)– mediated drug metabolism, and that only ∼2% of this type of drug interaction could not be predicted from the parent drug alone. Due to generally increased polarity and decreased permeability, metabolites are less likely to interact with P450s, but their dispos...

This overview provides comprehensive information on the most relevant results of Stobadine preclinical disposition studies. In order to investigate pharmacokinetic processes of the drug in rats, dogs and in human volunteers, several bioanalytical assays based on radiometric, spectrofluorometric, as well as chromatographic determination methods were developed and implemented. In small laboratory...

Physiologically based pharmacokinetic (PBPK) modeling of drug disposition and drug-drug interactions (DDIs) has become a key component of drug development. PBPK modeling has also been considered as an approach to predict drug disposition in special populations. However, whether models developed and validated in healthy populations can be extrapolated to special populations is not well establish...