Potency- and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations

Potency- and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations

Nicotinic acetylcholine receptor (nAChR) subtypes are key drug targets, but it is challenging to pharmacologically differentiate between them because of their highly similar sequence identities. Furthermore, α-conotoxins (α-CTXs) are naturally selective and competitive antagonists for nAChRs and hol...

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Bibliographic Details
Main Authors: Dana Katz, Michael A. DiMattia, Dan Sindhikara, Hubert Li, Nikita Abraham, Abba E. Leffler
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Marine Drugs
Subjects:
conotoxin
nicotinic acetylcholine receptor
selectivity
free-energy perturbation
Online Access:https://www.mdpi.com/1660-3397/19/7/367

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https://www.mdpi.com/1660-3397/19/7/367

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