Analytical, Diagnostic and Therapeutic Techniques, and Equipment

Drug Design

The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include PHARMACOKINETICS, dosage analysis, or drug administration analysis.

National Library of MedicineMedical Subject Headings2026

Structured Summary

Abstract

The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include PHARMACOKINETICS, dosage analysis, or drug administration analysis.

MeSH Record

Classification

Broader headings

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See Also

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Synonyms

13 entry terms
  • Pharmaceutical Design
  • Design, Pharmaceutical
  • Drug Designs
  • Pharmaceutical Designs
  • Computer-Aided Drug Design
  • Computerized Drug Design
  • Drug Modeling
  • Computer Aided Drug Design
  • Computer-Aided Drug Designs
  • Computerized Drug Designs
  • Drug Design, Computer-Aided
  • Drug Design, Computerized
  • Drug Modelings

MeSH Record

Aspects Covered

10 allowable subheadings

Indexed with the subheadings classification, economics, ethics, history, instrumentation, methods, standards, statistics & numerical data, trends, veterinary.

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Indexing Annotation

do not confuse with DESIGNER DRUGS

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History Note

89

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Previous Indexing

  • Chemistry, Pharmaceutical (1966-1988)
  • Drugs (1966-1988)

MeSH Hierarchy

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MeSH Record

NLM Classification

QV 745

AMA Style

References

  1. National Library of Medicine. Drug Design. Medical Subject Headings (MeSH). 2026. Unique ID D015195. http://id.nlm.nih.gov/mesh/2026/D015195
  2. Drug Design. In: Wikipedia. https://en.wikipedia.org/wiki/Drug_design
  3. Drug Design. In: Wikidata. https://www.wikidata.org/wiki/Q2991682