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Related Concept Videos

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...
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...
Biopharmaceutical Factors Influencing Drug Product Design: Overview01:22

Biopharmaceutical Factors Influencing Drug Product Design: Overview

Rational drug product design integrates knowledge of the drug’s physicochemical properties, formulation components, manufacturing techniques, and intended route of administration. Each factor influences the drug’s performance, including how it is released, absorbed, and eliminated in the body.The physicochemical properties of a drug—such as solubility, stability, and particle size—affect its compatibility with excipients and the choice of dosage form. Excipients, though pharmacologically...
Pharmacokinetic–Pharmacodynamic Relationship: Problems01:24

Pharmacokinetic–Pharmacodynamic Relationship: Problems

The empirical approach to drug therapy optimization relies on correlating pharmacological response with administered dosage. Such an approach can be costly, time-consuming, and often yields poor correlation due to variables like formulation factors and drug elimination characteristics. A more precise approach correlates response with plasma drug concentration or the amount of drug in the body, rather than dosage. This is achieved through pharmacokinetic-pharmacodynamic (PK/PD) modeling, which...

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Related Experiment Video

Updated: Jul 4, 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

Fragment-based drug discovery using rational design.

H Jhoti1

  • 1Astex Therapeutics Ltd., 436 Science Park, Milton Rd, CB40QA Cambridge, UK. H.Jhoti@Astex-therapeutics.com

Ernst Schering Foundation Symposium Proceedings
|May 31, 2008
PubMed
Summary
This summary is machine-generated.

Fragment-based drug discovery (FBDD) offers an alternative to high-throughput screening for identifying drug candidates. This method optimizes small molecule fragments into potent leads, with one such candidate now in cancer clinical trials.

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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode

Published on: June 4, 2021

Related Experiment Videos

Last Updated: Jul 4, 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

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
09:19

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode

Published on: June 4, 2021

Area of Science:

  • Medicinal Chemistry
  • Biophysics
  • Drug Discovery

Background:

  • Fragment-based drug discovery (FBDD) is an alternative strategy to high-throughput screening (HTS) for identifying novel small molecule drug candidates.
  • FBDD utilizes small, low molecular weight compounds (fragments) screened for binding to target proteins using sensitive biophysical techniques.
  • Fragments exhibit lower binding affinity compared to larger molecules identified by HTS due to their reduced size and complexity.

Purpose of the Study:

  • To review the primary approaches for detecting low-affinity fragment binding.
  • To outline key principles for generating effective fragment libraries.
  • To present a case study of FBDD leading to a clinical trial drug candidate.

Main Methods:

  • Screening of small molecule fragment libraries using sensitive biophysical detection technologies.
  • Iterative medicinal chemistry optimization guided by structural data.
  • Analysis of fragment binding affinity and selectivity.

Main Results:

  • Identification of weak-binding fragment hits with potential for optimization.
  • Development of strategies for fragment library design and screening.
  • Successful progression of an FBDD-derived compound into cancer clinical trials.

Conclusions:

  • FBDD is a viable approach for generating potent and selective drug leads from initial fragment hits.
  • The combination of sensitive detection methods and well-designed fragment libraries is crucial for FBDD success.
  • FBDD has demonstrated its potential to deliver clinical drug candidates, as exemplified by a cancer therapeutic currently in trials.