How Could Simulations Elucidate Nav1.5 Channel Blockers Mechanism?
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Abstract
Tao and Corry used metadynamics, an enhanced sampling method to identify and classify Nav channel blockers.
References
1.
Botello-Smith W, Jiang W, Zhang H, Ozkan A, Lin Y, Pham C
. A mechanism for the activation of the mechanosensitive Piezo1 channel by the small molecule Yoda1. Nat Commun. 2019; 10(1):4503.
PMC: 6776524.
DOI: 10.1038/s41467-019-12501-1.
View
2.
Starmer C, Grant A, Strauss H
. Mechanisms of use-dependent block of sodium channels in excitable membranes by local anesthetics. Biophys J. 1984; 46(1):15-27.
PMC: 1434933.
DOI: 10.1016/S0006-3495(84)83994-6.
View
3.
Lenaeus M, Gamal El-Din T, Ing C, Ramanadane K, Pomes R, Zheng N
. Structures of closed and open states of a voltage-gated sodium channel. Proc Natl Acad Sci U S A. 2017; 114(15):E3051-E3060.
PMC: 5393245.
DOI: 10.1073/pnas.1700761114.
View
4.
Dempsey C, Wright D, Colenso C, Sessions R, Hancox J
. Assessing hERG pore models as templates for drug docking using published experimental constraints: the inactivated state in the context of drug block. J Chem Inf Model. 2014; 54(2):601-12.
PMC: 3977586.
DOI: 10.1021/ci400707h.
View
5.
Gamal El-Din T, Lenaeus M, Zheng N, Catterall W
. Fenestrations control resting-state block of a voltage-gated sodium channel. Proc Natl Acad Sci U S A. 2018; 115(51):13111-13116.
PMC: 6304959.
DOI: 10.1073/pnas.1814928115.
View