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Related Concept Videos

Drug Discovery: Overview01:26

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...
Genetic Screens02:46

Genetic Screens

Genetic screens are tools used to identify genes and mutations responsible for phenotypes of interest. Genetic screens help identify individuals or a group of people at risk of developing  genetic diseases and help them with early intervention, targeted therapy, and reproductive options.
Forward genetic screens
Forward or “classical” genetic screens involve creating random mutations in an organism’s DNA using radiation, mutagens, or insertion of additional bases, which result in visible changes...

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Related Experiment Video

Updated: May 13, 2026

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
06:26

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

Published on: May 16, 2021

Mining free compound databases to identify candidates selected by virtual screening.

Sridhar R Vasudevan1, Grant C Churchill

  • 1University of Oxford, Department of Pharmacology, Mansfield Road, Oxford OX1 3QT, UK +44 1865 271 635 ; +44 1865 271 853 ; grant.churchill@pharm.ox.ac.uk.

Expert Opinion on Drug Discovery
|March 14, 2013
PubMed
Summary
This summary is machine-generated.

Virtual screening offers a cost-effective method for discovering novel chemical probes essential for biological research. This computational approach accelerates the identification of tools to understand protein function, benefiting even small laboratories.

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Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Related Experiment Videos

Last Updated: May 13, 2026

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
06:26

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

Published on: May 16, 2021

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Area of Science:

  • Chemical biology
  • Computational chemistry
  • Genomics and proteomics

Background:

  • The rapid accumulation of genomic and proteomic data outpaces the discovery of corresponding chemical probes.
  • Understanding protein function necessitates tools that can modulate protein activity, which are currently lacking.
  • Virtual screening emerges as a powerful computational solution for rapid and cost-effective molecule evaluation.

Purpose of the Study:

  • To demonstrate how small, well-funded laboratories can successfully employ virtual screening for chemical probe development.
  • To highlight the role of accessible software and free compound databases in enabling virtual screening.

Main Methods:

  • Utilizing virtual screening to computationally evaluate large compound libraries.
  • Leveraging free, publicly available databases of purchasable compounds.
  • Employing accessible and powerful molecular modeling software.

Main Results:

  • Virtual screening has proven effective in identifying viable chemical probes.
  • This technique allows for rapid and economical screening of millions of molecules.
  • Small laboratories can achieve significant results with modest funding.

Conclusions:

  • Virtual screening is a validated and powerful technique for discovering chemical probes.
  • Underutilization of virtual screening by research groups limits its potential impact.
  • Increased awareness of virtual screening capabilities will accelerate the discovery of new biological tools.