5-HT

Binding Sites Halogens Ligands Molecular Dynamics Simulation Serotonin

Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
25 10 2021
Historique:
pubmed: 8 10 2021
medline: 23 11 2021
entrez: 7 10 2021
Statut: ppublish

Résumé

The binding of C-4-halogenated 1-(4-X-2,5-dimethoxyphenyl)-2-aminopropane (DOX) serotonin agonist psychedelics at all three 5-HT

Identifiants

DOI: 10.1021/acs.jcim.1c00466 PMID: 34617740
pubmed: 34617740
doi: 10.1021/acs.jcim.1c00466
doi:

Substances chimiques

Halogens 0
Ligands 0
Serotonin 333DO1RDJY

Types de publication

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

Langues

eng

Sous-ensembles de citation

IM

Pagination

5001-5012

Auteurs

Angélica Fierro (A)

Departamento de Química Orgánica, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Santiago 7820436, Chile.
ORCID: 0000-0002-6507-4188

Douglas J Matthies (DJ)

Unidad de Gráfica Molecular, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile, Sergio Livingstone 1007, Independencia, Santiago 8380494, Chile.
ORCID: 0000-0002-7673-4081

Bruce K Cassels (BK)

Departamento de Química, Facultad de Ciencias, Universidad de Chile, Santiago 7800003, Chile.
ORCID: 0000-0002-0082-0661

Pablo Jaque (P)

Departamento de Química Orgánica y Fisicoquímica, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile, Sergio Livingstone 1007, Independencia, Santiago 8380492, Chile.
ORCID: 0000-0002-4055-3553

Gerald Zapata-Torres (G)

Unidad de Gráfica Molecular, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile, Sergio Livingstone 1007, Independencia, Santiago 8380494, Chile.
ORCID: 0000-0002-8090-1153

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Classifications MeSH

questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › 5-HT
questionsmedicales.fr › Produits chimiques inorganiques › Éléments › Halogènes › 5-HT
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › 5-HT
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › 5-HT
questionsmedicales.fr › Facteurs biologiques › Médiateurs de l'inflammation › Autacoïdes › Sérotonine › 5-HT