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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 |
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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