Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies.

Computer Simulation Drug Design Humans Hydrophobic and Hydrophilic Interactions Ligands Models, Chemical Pharmaceutical Preparations / chemistry Quantitative Structure-Activity Relationship Quantum Theory
3D-QSAR continuum solvation models hydrophobic pharmacophore lipophilicity quantum mechanical-derived descriptors

Journal

Future medicinal chemistry
ISSN: 1756-8927
Titre abrégé: Future Med Chem
Pays: England
ID NLM: 101511162

Informations de publication

Date de publication:
05 2019
Historique:
pubmed: 26 2 2019
medline: 11 2 2020
entrez: 26 2 2019
Statut: ppublish

Résumé

The pharmacophore concept is a fundamental cornerstone in drug discovery, playing a critical role in determining the success of

Identifiants

DOI: 10.4155/fmc-2018-0435 PMID: 30799643
pubmed: 30799643
doi: 10.4155/fmc-2018-0435
doi:

Substances chimiques

Ligands 0
Pharmaceutical Preparations 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't Review

Langues

eng

Sous-ensembles de citation

IM

Pagination

1177-1193

Auteurs

Tiziana Ginex (T)

Department of Nutrition, Food Sciences & Gastronomy, Faculty of Pharmacy & Food Sciences, Campus Torribera, Institute of Biomedicine (IBUB), & Institute of Theoretical & Computational Chemistry (IQTC-UB), University of Barcelona, Av. Prat de la Riba 171, Santa Coloma de Gramenet E-08921, Spain.

Javier Vazquez (J)

Department of Nutrition, Food Sciences & Gastronomy, Faculty of Pharmacy & Food Sciences, Campus Torribera, Institute of Biomedicine (IBUB), & Institute of Theoretical & Computational Chemistry (IQTC-UB), University of Barcelona, Av. Prat de la Riba 171, Santa Coloma de Gramenet E-08921, Spain.
Pharmacelera, Plaça Pau Vila, 1, Sector 1, Edificio Palau de Mar, Barcelona 08039, Spain.

Enric Gilbert (E)

Pharmacelera, Plaça Pau Vila, 1, Sector 1, Edificio Palau de Mar, Barcelona 08039, Spain.

Enric Herrero (E)

Pharmacelera, Plaça Pau Vila, 1, Sector 1, Edificio Palau de Mar, Barcelona 08039, Spain.

Francisco J Luque (FJ)

Department of Nutrition, Food Sciences & Gastronomy, Faculty of Pharmacy & Food Sciences, Campus Torribera, Institute of Biomedicine (IBUB), & Institute of Theoretical & Computational Chemistry (IQTC-UB), University of Barcelona, Av. Prat de la Riba 171, Santa Coloma de Gramenet E-08921, Spain.

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Classifications MeSH

questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Techniques d'investigation › Développement de médicament › Découverte de médicament › Conception de médicament › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Phénomènes chimiques › Interactions hydrophobes et hydrophiles › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Techniques d'investigation › Modèles théoriques › Modèles chimiques › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Préparations pharmaceutiques › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › Relation quantitative structure-activité › Lipophilicity in drug design: an overview of...
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Lipophilicity in drug design: an overview of...