Exploring The Structure-Activity Relationship (SAR) of Drugs

Published by AZO LIFE SCIENCE

Lead OptimisationTarget ValidationIn Silico ToolStructure-Activity Relationship

The Structure-Activity Relationship (SAR) aids in understanding various aspects of drug discovery, from screening drug candidates to optimizing their properties. The effective biological activity is contributed by the various geometric and electrostatic interactions. This article introduce in a briefly way the diferent uses of The Structure-Activity Relationship (SAR) in drug discovery.

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The retrospective identification of the drug targets that underlie an observed phenotypic response is termed Target Deconvolution. Target Deconvolution can be achieved by numerous methods including; Affinity Chromatography, Expression-Cloning, Protein Microarray, ‘reverse transfected’ Cell Microarray, and Biochemical Suppression

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Assay Development and Screening Technology (ADST)

Published by NCATS

Small MoleculeNCATSHigh Throughput Screening

One of the first steps in the drug development process is creating test systems — called assays — on which researchers assess the effects of chemical compounds on cellular, molecular or biochemical processes of interest. At NCATS, the experts in the Assay Development and Screening Technology (ADST) program work to optimize assays requested or submitted by the biomedical research community for high-throughput small-molecule screening

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Functional Genomics Lab

Published by NCATS

RNAi ScreeningNCATSTarget Identification

NCATS’ Functional Genomics Lab is designed to develop and improve RNAi Screening approaches to better understand gene function and identify treatment targets. Gene silencing through RNAi has emerged as a powerful tool for understanding gene function. Over the past several years, high-throughput RNAi screens have illuminated a wide variety of biological processes, ranging from genes that affect the activity of therapeutic agents to novel components of signaling pathways.

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

Published by Expert Opinion on Drug Discovery

Target IdentificationLead OptimisationIn Silico ToolDrug Discovery

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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