Binding Interactions of Ergotamine and Dihydroergotamine to 5-Hydroxytryptamine Receptor 1B (5-HT

Dihydroergotamine Ergotamine Molecular Dynamics Simulation Receptors, Serotonin 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:
23 03 2020
Historique:
pubmed: 23 2 2020
medline: 22 6 2021
entrez: 21 2 2020
Statut: ppublish

Résumé

Ergotamine (ERG) and dihydroergotamine (DHE), common migraine drugs, have small structural differences but lead to clinically important distinctions in their pharmacological profiles. For example, DHE is less potent than ERG by about 10-fold at the 5-hydroxytrptamine receptor 1B (5-HT

Identifiants

DOI: 10.1021/acs.jcim.9b01082 PMID: 32078320
pubmed: 32078320
doi: 10.1021/acs.jcim.9b01082
doi:

Substances chimiques

Receptors, Serotonin 0
Serotonin 333DO1RDJY
Dihydroergotamine 436O5HM03C
Ergotamine PR834Q503T

Types de publication

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

Langues

eng

Sous-ensembles de citation

IM

Pagination

1749-1765

Auteurs

Holli-Joi Sullivan (HJ)

College of Science and Mathematics, Rowan University, Glassboro, New Jersey 08028 United States.

Amanda Tursi (A)

College of Science and Mathematics, Rowan University, Glassboro, New Jersey 08028 United States.

Kelly Moore (K)

College of Science and Mathematics, Rowan University, Glassboro, New Jersey 08028 United States.

Alexandra Campbell (A)

College of Science and Mathematics, Rowan University, Glassboro, New Jersey 08028 United States.

Cecilia Floyd (C)

College of Science and Mathematics, Rowan University, Glassboro, New Jersey 08028 United States.

Chun Wu (C)

College of Science and Mathematics, Rowan University, Glassboro, New Jersey 08028 United States.
ORCID: 0000-0002-0176-3873

Articles similaires

Atomic view of photosynthetic metabolite permeability pathways and confinement in synthetic carboxysome shells.

Daipayan Sarkar, Christopher Maffeo, Markus Sutter et al.
1.00
Photosynthesis Ribulose-Bisphosphate Carboxylase Carbon Dioxide Molecular Dynamics Simulation Cyanobacteria

The periaxonal space as a conduit for cerebrospinal fluid flow to peripheral organs.

Xinyu Li, Siman Wang, Dianjun Zhang et al.
1.00
Cerebrospinal Fluid Animals Liver Glymphatic System Spinal Cord

Drug repurposing against fucosyltransferase-2 via docking, STD-NMR, and molecular dynamic simulation studies.

Muhammad Atif, Humaira Zafar, Atia-Tul- Wahab et al.
1.00
Fucosyltransferases Drug Repositioning Molecular Docking Simulation Molecular Dynamics Simulation Humans

A head-to-head comparison of MM/PBSA and MM/GBSA in predicting binding affinities for the CB

Mei Qian Yau, Clarence W Y Liew, Jing Hen Toh et al.
1.00
Receptor, Cannabinoid, CB1 Ligands Molecular Dynamics Simulation Protein Binding Thermodynamics

Classifications MeSH

questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérocycliques avec 4 noyaux ou plus › Ergotamines › Dihydroergotamine › Binding Interactions of Ergotamine and...
questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérocycliques avec 4 noyaux ou plus › Ergotamines › Ergotamine › Binding Interactions of Ergotamine and...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Binding Interactions of Ergotamine and...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Récepteurs de surface cellulaire › Récepteurs aux neuromédiateurs › Récepteurs sérotoninergiques › Binding Interactions of Ergotamine and...
questionsmedicales.fr › Facteurs biologiques › Médiateurs de l'inflammation › Autacoïdes › Sérotonine › Binding Interactions of Ergotamine and...