Determination of the μ-Conotoxin PIIIA Specificity Against Voltage-Gated Sodium Channels from Binding Energy Calculations

Determination of the μ-Conotoxin PIIIA Specificity Against Voltage-Gated Sodium Channels from Binding Energy Calculations

Voltage-gated sodium (NaV) channels generate and propagate action potentials in excitable cells, and several NaV subtypes have become important targets for pain management. The μ-conotoxins inhibit subtypes of the NaV with varied specificity but often lack of specificity to interested subtype...

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Bibliographic Details
Main Authors: Fangling Chen, Wenxin Huang, Tao Jiang, Rilei Yu
Format: Article
Language:English
Published: MDPI AG 2018-05-01
Series:Marine Drugs
Subjects:
homology modeling
molecular docking
sodium channel
μ-conotoxin
MD simulation
binding affinity
MMGB/SA
umbrella sampling
Online Access:http://www.mdpi.com/1660-3397/16/5/153

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http://www.mdpi.com/1660-3397/16/5/153

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