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

Marine drugs - 25 Jun 2021

Katz Dana, DiMattia Michael A, Sindhikara Dan, Li Hubert, Abraham Nikita, Leffler Abba E

Abstract excerpt

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 hold great potential for treating nAChR disorders. Identifying selectivity-enhancing mutations is the chief aim of most...

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PMID: 34202022
DOI: 10.3390/md19070367
PMCID: PMC8306581

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