Interaction of rat α9α10 nicotinic acetylcholine receptor with α-conotoxin RgIA and Vc1.1: Insights from docking, molecular dynamics and binding free energy contributions

The α9α10 nicotinic acetylcholine receptor (nAChR) is an effective therapeutic target for neuropathic pain. α-Conotoxin RgIA and Vc1.1 are two well-known peptides blocking α9α10 nAChR potently and selectively, which have been extensively investigated as drug candidates. Several key residues were est...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of molecular graphics & modelling 2019-11, Vol.92, p.55-64
Hauptverfasser:	Li, Rui, Li, Xincan, Jiang, Jiemei, Tian, Yuanyuan, Liu, Danrui, Zhangsun, Donting, Fu, Ying, Wu, Yong, Luo, Sulan
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding free energy Docking Molecular dynamics simulations Rat α9α10 nAChR α-Conotoxin RgIA α-Conotoxin Vc1.1
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!