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Drug Discovery: Overview

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...

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Advances in genomics have profoundly influenced drug discovery by increasing both the speed and accuracy of pharmaceutical development. Pharmacogenomics, which examines how genetic variation influences drug response, facilitates the identification of novel therapeutic targets and enables patient stratification for personalized treatment. These strategies contribute to improved drug efficacy, minimized adverse effects, and more efficient clinical trial design.Mapping genetic differences...

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Updated: Jun 3, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

Drug repositioning using in silico compound profiling.

Elodie Dubus¹, Ismail Ijjaali, Olivier Barberan

¹Aureus Pharma, 174 Quai de Jemmapes, 75010 Paris, France. elodie.dubus@aureus-pharma.com

Future Medicinal Chemistry

|March 24, 2011

Summary

This summary is machine-generated.

Drug repositioning identifies new uses for existing medications by analyzing molecular similarities. This study computationally profiled marketed drugs, revealing potential new therapeutic targets and indications.

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Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Area of Science:

Computational drug discovery
Pharmacology
Medicinal chemistry

Background:

Drug repositioning accelerates the identification of novel therapeutic applications for existing drugs.
This strategy is particularly valuable for late-stage drug candidates that previously failed due to lack of efficacy.
Repositioning leverages existing safety and pharmacokinetic data, reducing development time and costs.

Purpose of the Study:

To computationally profile marketed drugs for potential new therapeutic indications.
To explore the utility of in silico methods in identifying novel drug targets based on molecular similarity.
To assess the target-activity profiles of selected drugs against major drug-target families.

Main Methods:

In silico profiling of marketed drugs including methadone, rapamycin, saquinavir, and telmisartan.
Assessment of compound similarity based on target-activity profiles across major drug-target families.
Visualization of in silico drug profiles using an interactive heatmap and detailed knowledge-based analysis.

Main Results:

Computational analysis revealed target-activity profiles for several marketed drugs.
Similar compounds were identified and analyzed for their potential drug-target interactions.
Interactive heatmaps facilitated the visualization and interpretation of in silico drug profiles.

Conclusions:

The study successfully identified potential new therapeutic targets and indications based on molecular similarity principles.
Computational drug profiling offers a viable strategy for discovering novel applications of existing drugs.
This approach supports the advancement of drug repositioning initiatives in pharmaceutical research.