DeCS

Descriptor English:

Drug Design

Descriptor Spanish:

Diseño de Fármacos

Spanish from Spain

Descriptor	diseño de fármacos
Entry term(s)	diseño de fármacos asistido por ordenador diseño de fármacos por ordenador diseño de medicamentos diseño farmacéutico modelado de fármacos
Scope note:	Diseño molecular de fármacos con propósitos específicos (unión al ADN, inhibición enzimática, eficacia contra el cáncer, etc.) basado en el conocimiento de propiedades moleculares tales como la actividad de los grupos funcionales, la geometría molecular y la estructura electrónica, así como en la información catalogada sobre fármacos análogos. El diseño de fármacos generalmente consiste en el modelado molecular asistido por ordenador y no comprende la FARMACOCINÉTICA, el análisis de las dosis ni el análisis de la administración del fármaco.

Descriptor Portuguese:

Desenho de Fármacos

Descriptor French:

Conception de médicament

Entry term(s):

Computer Aided Drug Design
Computer-Aided Drug Design
Computer-Aided Drug Designs
Computerized Drug Design
Computerized Drug Designs
Design, Computer-Aided Drug
Design, Computerized Drug
Design, Drug
Design, Pharmaceutical
Designs, Computer-Aided Drug
Designs, Computerized Drug
Designs, Drug
Designs, Pharmaceutical
Drug Design, Computer-Aided
Drug Design, Computerized
Drug Designs
Drug Designs, Computer-Aided
Drug Designs, Computerized
Drug Modeling
Drug Modelings
Modeling, Drug
Modelings, Drug
Pharmaceutical Design
Pharmaceutical Designs

Tree number(s):

E05.290.563.250

RDF Unique Identifier:

https://id.nlm.nih.gov/mesh/D015195

Scope note:

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.

Annotation:

do not confuse with DESIGNER DRUGS

Allowable Qualifiers:

No qualifiers

Previous Indexing:

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

Public MeSH Note:

History Note:

Computer-Aided Design MeSH
Designer Drugs MeSH

DeCS ID:

23621

Unique ID:

D015195

NLM Classification:

QV 745

Documents indexed in the Virtual Health Library (VHL):

Click here to access the VHL documents

Date Established:

1989/01/01

Date of Entry:

1988/04/21

Revision Date:

2019/04/04

ANALYTICAL, DIAGNOSTIC AND THERAPEUTIC TECHNIQUES, AND EQUIPMENT

Investigative Techniques [E05]

Investigative Techniques

Drug Development [E05.290]

Drug Development

Drug Discovery [E05.290.563]

Drug Discovery

Drug Design [E05.290.563.250]

Drug Design

Polypharmacology [E05.290.563.250.500]

Polypharmacology

Network Pharmacology [E05.290.563.500]

Network Pharmacology

Drug Design - Preferred

Concept UI	M0023350
Scope note	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.
Preferred term	Drug Design
Entry term(s)	Design, Drug Design, Pharmaceutical Designs, Drug Designs, Pharmaceutical Drug Designs Pharmaceutical Design Pharmaceutical Designs

Drug Modeling - Narrower

Concept UI	M0023351
Scope note	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.
Scope note	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.
Preferred term	Drug Modeling
Entry term(s)	Drug Modelings Modeling, Drug Modelings, Drug

Computer-Aided Drug Design - Narrower

Concept UI	M000647220
Preferred term	Computer-Aided Drug Design
Entry term(s)	Computer Aided Drug Design Computer-Aided Drug Designs Computerized Drug Design Computerized Drug Designs Design, Computer-Aided Drug Design, Computerized Drug Designs, Computer-Aided Drug Designs, Computerized Drug Drug Design, Computer-Aided Drug Design, Computerized Drug Designs, Computer-Aided Drug Designs, Computerized

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