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Pharmacophore modeling, in silico screening, molecular docking and molecular dynamics approaches for potential alpha-delta bungarotoxin-4 inhibitors discovery

BACKGROUND: The alpha-delta bungartoxin-4 (α-δ-Bgt-4) is a potent neurotoxin produced by highly venomous snake species, Bungarus caeruleus, mainly targeting neuronal acetylcholine receptors (nAchRs) and producing adverse biological malfunctions leading to respiratory paralysis and mortality. Objecti...

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Detalles Bibliográficos
Autores principales: Kumar, R. Barani, Suresh, M. Xavier, Priya, B. Shanmuga
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Medknow Publications & Media Pvt Ltd 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4461960/
https://www.ncbi.nlm.nih.gov/pubmed/26109766
http://dx.doi.org/10.4103/0973-1296.157670