Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/5880
Title: Paralysis mechanism of A-conotoxin si from molecular dynamics simulations and free energy calculations
Authors: Tuna, O.
Kuyucak, S.
Baştuğ, T.
Keywords: Drug discovery
Molecular dynamics
Potential of mean force
Protein-ligand interactions
Issue Date: 2016
Publisher: L and H Scientific Publishing, LLC
Abstract: Peptide toxins offer new avenues for development of novel drugs. A- Conotoxin SI, which binds to neuromuscular Nicotinic Acetylcholine Receptor, is such an analgesic drug candidate. Understanding the mechanism of action is crucial for improving the properties of drug candidates. Here, we use docking and molecular dynamics simula- tions to propose a model for binding of A-Conotoxin SI to Nicotinic Acetylcholine Receptor and discuss its paralysis effect. © 2016. L&H Scientific Publishing, LLC.
URI: https://doi.org/10.5890/JAND.2016.03.004
https://hdl.handle.net/20.500.11851/5880
ISSN: 2164-6457
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

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