Open access In Silico Tools to predict the ADMET profiling of drug candidates

Published by Expert Opinion on Drug Discovery

Drug DiscoveryTarget IdentificationLead OptimisationIn Silico Tool

This review meticulously encompasses the fundamental functions of open access in silico prediction tools (webservers and standalone software) and advocates their use in drug discovery research for the Safety and reliability of any candidate-drug. This review also aims to help support new researchers in the field of drug design.

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Estimating human ADME properties, pharmacokinetic parameters and likely clinical dose in drug discovery

Published by Expert Opinion on Drug Discovery

Lead OptimisationTarget ValidationPharmacokineticsPK or PDDose EstimationADME

The aim of this article is to provide a framework to facilitate apposite human PK and dose predictions as a continuum during drug discovery. Firstly, for early Dose Estimation to guide compound design, accelerate decision-making and focus strategy, a simple PK model is proposed based on achieving and maintaining average steady-state concentrations (Css,av) related to a measure of efficacious concentration. A toolbox of methods for the prediction of PK parameters is provided with consideration of the appropriate and effective use. Finally, advances in the understanding of compound properties and TPP will inform model selection for dose projection.

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