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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...
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

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Related Experiment Video

Updated: May 13, 2026

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules
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A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

Published on: March 10, 2017

Design of chemical libraries for screening.

Hugo O Villar1, Mark R Hansen

  • 1Altoris, Inc., 7660-H Fay Ave #347, La Jolla, CA 92037, USA +1 858 259 8161 ; +1 858 764 5483 ; hugo@altoris.com.

Expert Opinion on Drug Discovery
|March 14, 2013
PubMed
Summary

Optimizing drug discovery library design is crucial for cost-effective screening. Chemotyping and substructure analysis offer powerful, underutilized methods for evaluating compound libraries and improving lead series development.

Area of Science:

  • Chemoinformatics
  • Drug Discovery
  • Library Design

Background:

  • High-throughput screening (HTS) is dominant but costly.
  • Emerging technologies like high-content screening and fragment-based design offer alternatives.
  • Reducing compound numbers in screening is key to managing costs and resources.

Purpose of the Study:

  • To survey recent developments in diversity-based library design.
  • To discuss the role of chemotyping and substructure analysis.
  • To address challenges posed by novel lead discovery technologies for library design.

Main Methods:

  • Historical context of library design.
  • Focus on diversity-based library design.
  • Discussion of chemotyping and substructure analysis.

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

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High-throughput Screening for Chemical Modulators of Post-transcriptionally Regulated Genes
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High-throughput Screening for Chemical Modulators of Post-transcriptionally Regulated Genes

Published on: March 3, 2015

Related Experiment Videos

Last Updated: May 13, 2026

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules
08:43

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

Published on: March 10, 2017

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

High-throughput Screening for Chemical Modulators of Post-transcriptionally Regulated Genes
09:44

High-throughput Screening for Chemical Modulators of Post-transcriptionally Regulated Genes

Published on: March 3, 2015

Main Results:

  • New library design technologies are emerging.
  • Novel screening technologies present chemoinformatics challenges.
  • Diversity-based screening and compound filtering are key areas.

Conclusions:

  • Chemotyping and substructure analysis are underutilized but effective library evaluation tools.
  • These methods can be used to develop predictive methodologies.
  • The full potential of these techniques is yet to be realized.