A highly predictive 3D-QSAR model for binding to the voltage-gated sodium channel: design of potent new ligands.
作者： Congxiang Zha , George B. Brown , Wayne J. Brouillette
DOI: 10.1016/J.BMC.2013.11.049
关键词:
摘要: A comprehensive comparative molecular field analysis (CoMFA) model for the binding of ligands to neuronal voltage-gated sodium channel was generated based on 67 diverse compounds. Earlier published CoMFA models this target provided μM ligands, but improved described here structurally novel compounds with low nM IC₅₀. For example, new 94 and 95 had IC₅₀ values 129 119 nM, respectively.
sci-hub.se 参考文章(34)
Charles P. Taylor, Lakshmi S. Narasimhan, Sodium Channels and Therapy of Central Nervous System Diseases Advances in pharmacology. ,vol. 39, pp. 47- 98 ,(1997) , 10.1016/S1054-3589(08)60069-1
H J Duff, R S Sheldon, R J Hill, E Thakore, Class I antiarrhythmic drugs: allosteric inhibitors of [3H] batrachotoxinin binding to rat cardiac sodium channels. Journal of Pharmacology and Experimental Therapeutics. ,vol. 268, pp. 187- 194 ,(1994)
Hong-Ling Li, Adriana Galue, Laurence Meadows, David S. Ragsdale, A Molecular Basis for the Different Local Anesthetic Affinities of Resting Versus Open and Inactivated States of the Sodium Channel Molecular Pharmacology. ,vol. 55, pp. 134- 141 ,(1999) , 10.1124/MOL.55.1.134
K R Courtney, Structure-activity relations for frequency-dependent sodium channel block in nerve by local anesthetics. Journal of Pharmacology and Experimental Therapeutics. ,vol. 213, pp. 114- 119 ,(1980)
William A. Catterall, Common modes of drug action on Na+ channels: local anesthetics, antiarrhythmics and anticonvulsants Trends in Pharmacological Sciences. ,vol. 8, pp. 57- 65 ,(1987) , 10.1016/0165-6147(87)90011-3
Richard A. Glennon, Seth Y. Ablordeppey, Abd M. Ismaiel, Mahmoud B. El-Ashmawy, James B. Fischer, Kathleen Burke Howie, Structural features important for sigma 1 receptor binding. Journal of Medicinal Chemistry. ,vol. 37, pp. 1214- 1219 ,(1994) , 10.1021/JM00034A020
Congxiang Zha, George B. Brown, Wayne J. Brouillette, Synthesis and Structure−Activity Relationship Studies for Hydantoins and Analogues as Voltage-Gated Sodium Channel Ligands Journal of Medicinal Chemistry. ,vol. 47, pp. 6519- 6528 ,(2004) , 10.1021/JM040077O
John N Wood, Mark Baker, Voltage-gated sodium channels Current Opinion in Pharmacology. ,vol. 1, pp. 17- 21 ,(2001) , 10.1016/S1471-4892(01)00007-8
T. J. Campbell, K. M. Williams, Therapeutic drug monitoring: antiarrhythmic drugs British Journal of Clinical Pharmacology. ,vol. 46, pp. 307- 319 ,(2001) , 10.1046/J.1365-2125.1998.T01-1-00768.X
William J. Brackenbury, Voltage-gated sodium channels and metastatic disease. Channels. ,vol. 6, pp. 352- 361 ,(2012) , 10.4161/CHAN.21910