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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...
Targets for Drug Action: Overview01:26

Targets for Drug Action: Overview

Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Modified-Release Drug Delivery Systems: Site-Targeted01:24

Modified-Release Drug Delivery Systems: Site-Targeted

Site-targeted drug delivery systems enhance therapeutic efficacy while minimizing systemic toxicity and treatment costs. Unlike conventional methods, these systems ensure precise drug delivery, improving bioavailability and reducing side effects. Targeted drug delivery is classified into three levels. First-order targeting directs drugs to the capillary beds of specific organs or tissues. Second-order targets specific cell types, such as tumor cells, using receptor-mediated interactions.
Pharmacogenomics: Identification of New Drug Targets01:29

Pharmacogenomics: Identification of New Drug Targets

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...
Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches01:14

Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches

Drug disposition in the body is a complex process and can be studied using two major approaches: the model and the model-independent approaches.
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Related Experiment Video

Updated: May 31, 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 approaches and computer-aided drug discovery.

Didier Rognan1

  • 1University of Strasbourg, Illkirch, France. rognan@unistra.fr

Topics in Current Chemistry
|June 29, 2011
PubMed
Summary

Fragment-based drug design has revolutionized pharmaceutical research by changing how scientists approach drug discovery. Thinking in "fragment space" enhances computational biology and chemistry for rational ligand design.

Area of Science:

  • Medicinal Chemistry
  • Computational Biology
  • Drug Discovery

Background:

  • Fragment-based design has emerged as a significant innovation in drug discovery over the past decade.
  • This approach has influenced both technological advancements and the exploration of new therapeutic targets.

Purpose of the Study:

  • To review the critical role of molecular fragments in rational ligand design.
  • To discuss the impact of fragment-based thinking on computational biology and chemistry.

Main Methods:

  • Literature review focusing on fragment-based design principles.
  • Analysis of computational methods and applications in rational drug design.
  • Discussion of the concept of
  • fragment space

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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

Published on: March 3, 2021

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Last Updated: May 31, 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

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
06:29

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

Published on: March 3, 2021

  • .

    • Main Results:

    • Fragment-based approaches have fundamentally altered drug discovery paradigms.
    • Significant advancements in rational computer-aided drug design (CADD) methods and applications.
    • The adoption of fragment-based strategies has positively impacted computational biology and chemistry.

    Conclusions:

    • Molecular fragments are integral to modern rational ligand design.
    • Thinking in
    • fragment space
    • has significantly boosted computational approaches in drug discovery.
    • Fragment-based design represents a paradigm shift in pharmaceutical research.