HERG potassium channel

CoMSIA (comparative molecular similarity index analysis) is a recent development from CoMFA and does not suffer from the alignment problem. It has been used to model hERG potassium channel inhibition by drugs [59] and the toxicity of phenylsulfonyl carboxylates [60], organophosphates [61], and polybrominated diphenyl ethers [62], with results comparable to those from CoMFA. 

Dearden JC, Netzeva TI. QSAR modelling of hERG potassium channel inhibition with low-dimensional descriptors. I Pharm Pharmacol 2004 56 Suppl S-82. 

Pearlstein RA, Vaz Rl, Kang J, Chen X-L, Preobrazhenskaya M, Shchekotikhin AE et al. Characterisation of HERG Potassium channel inhibition using COMSiA 3D QSAR and homology modeling approaches. Bioorg Med Chem Lett 2003 13 1829-35. 

Sun, H. Liu, X. Xiong, Q. Shikano, S. Li, M. Chronic inhibition of cardiac Kir2.1 and hERG potassium channel by celastrol with dual effects on both ion conductivity and protein trafficking. J. Biol. Chem. 2006, 281, 5877-5884. 

Witchel, H.J. (2007) The hERG potassium channel as a therapeutic target. Expert Opinion on Therapeutic Targets, 11, 321-336. 

Zeng, H., Lozinskaya, I.M., Lin, Z., Willette, R.N., Brooks, D.P. and Xu, X. (2006) Mallotoxin is a novel human ether-a-go-go-related gene (hERG) potassium channel activator. The Journal of Pharmacology and Experimental Therapeutics, 319, 957-962. 

Suessbrich, H., Schonherr, R., Heinemann, S.H., Attali, B., Lang, F. and Busch, A.E. (1997) The inhibitory effect of the antipsychotic drug haloperidol on HERG potassium channels expressed in Xenopus oocytes. British Journal of Pharmacology, 120, 968-974. 

Zhou, Z., Vorperian, V.R., Gong, Q., Zhang, S. and January, C.T. (1999) Block of HERG potassium channels by the antihistamine astemizole and its metabolites desmethylastemizole and norastemizole. Journal of Cardiovascular Electrophysiology, 10, 836-843. 

Sanguinetti, M.C. and Tristani-Firouzi, M. (2006) hERG potassium channels and cardiac arrhythmia. Nature, 440, 463 69. 

Cui, J., Kagan, A., Qin, D., Mathew, J., Melman, Y.F. and McDonald, T.V. (2001) Analysis of the cyclic nucleotide binding domain of the HERG potassium channel and interactions with KCNE2. The Journal of Biological Chemistry, 276, 17244-17251. 

Mitcheson, J.S., Chen, J. and Sanguinetti, M.C. (2000) Trapping of a methanesulfonanilide by closure of the hERG potassium channel activation gate. The Journal of General Physiology, 115, 229-240. 

Zhou, J., Augelli-Szaran, C.E., Bradley, J.A., Chen, X., Koci, B.J., Volberg, W.A., Sun, Z. and Cordes, J.S. (2005) Novel potent human ether-a-go-go-related gene (hERG) potassium channel enhancers and then in vitro antiarrhythmic activity. Molecular Pharmacology, 68, 876-884. 

Paul, A.A., Witchel, H.J. and Hancox, J. C. (2001) Inhibition of HERG potassium channel current by the class la antiarrhythmic agent disopyramide. Biochemical and Biophysical Research Communications, 280, 1243—1250. 

Cianchetta, G., Li, Y., Kang, J., Rampe, D., Fravolini, A., Crudani, G. and Vaz, R.J. (2005) Predictive models for hERG potassium channel blockers. Bioorganic el Medicinal Chemistry Letters, 15, 3637-3642. 

Yoshida, K. and Niwa, T. (2006) Quantitative structure-activity relationship studies on inhibition of HERG potassium channels. Journal of Chemical Information and Modeling, 46, 1371-1378. 

Coi, A., Massarelli, I., Murgia, L., Saraceno, M., Calderone, V. and Bianucd, A.M. (2006) Prediction of hERG potassium channel affinity by the CODESSA approach. Bioorganic el Medicinal Chemistry Letters, 14, 3153-3159. 

Tobita, M., Nishikawa, T. and Nagashima, R. (2005) A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors. Bioorganic el Medicinal Chemistry Letters, 15, 2886-2890. 

Roche, O., Trube, G Zuegge, J., Pflimlin, P., Alanine, A. and Schneider, G. (2002) A virtual screening method for prediction of the HERG potassium channel liability of compound libraries. Chembiochem A European Journal of Chemical Biology, 3, 455-459. 

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