The results obtained here show that the activity of these compoun

The results obtained here show that the activity of these compounds is mainly determined by the JGI4-, PCR- , and Hy-values. The model provides important information on the structure–activity relationships of these types of compounds at the molecular level relevant for the design of new AA derivatives. The JGI4 of a potent agent should be

as low as possible while PCR- and Hy-values should be high. On the basis of these results in combination with previous evidences we can conclude that the interaction of the 1-[3-(4-arylpiperazin-1-yl)propyl]Tideglusib pyrrolidin-2-one moiety with the arrhythmic species is greatly increased by the structure and the geometry of the molecule rather than its physico-chemical properties. More extensive in silico studies are in progress and will be reported in due course. Acknowledgments BTK inhibitor This study was supported by the research grant from the UMK no. 29/2010. Open Access This article is distributed under the terms of the Creative Commons Attribution Noncommercial License which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited. Electronic Supplementary

Material Below is the link to the electronic supplementary ARRY-438162 mw material. Supplementary material 1 (DOC 59 kb) References Abbas SA, Munavvar AS, Abdullah NA, Johns EJ (2006) Involvement of α1-adrenoceptor subtypes in the cardiac failure in spontaneously hypertensive rats. J Basic Appl Sci 2:59–69 Achen CH (1982) Interpreting and using regression. Sage, London Allison PD (1999) Multiple regression: a primer. Pine Forge Press, London Baumann K (2005) Chance correlation in variable subset regression: influence of the objective function, the selection mechanism, and ensemble averaging. QSAR Comb Sci 24:1033–1046CrossRef Becker OM, Marantz Y, Shacham S, Inbal B, Heifetz A, Kalid O et al (2004) G protein-coupled receptors: in silico drug discovery in 3D. Proc Natl Acad Sci USA 101:11304–11309PubMedCrossRef Belsley DA, Kuh E, Welsch RE (2005) Regression Cediranib (AZD2171) diagnostics: identifying influential data and sources of collinearity. John Wiley & Sons, New York Bland M (2000) Introduction to medical statistics, 3rd edn.

Oxford University Press, London Carmeliet E, Mubagwa K (1998) Antiarrhythmic drugs and cardiac ion channels: mechanisms of action. Prog Biophys Mol Biol 70:1–72PubMedCrossRef Chiu G, Li S, Connolly PJ, Pulito V, Liu J, Middleton SA (2008) Phenylpiperazinyl) cyclohexylureas: discovery of α1a/1d-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS. Bioorg Med Chem Lett 18:640–644PubMedCrossRef Debnath B, Samanta S, Naskar SK, Roy K, Jha T (2003) QSAR study on the affinity of some arylpiperazines towards the 5-HT1A/α1-adrenergic receptor using the E-state index. Bioorg Med Chem Lett 13:2837–2842PubMedCrossRef Diudea MV, Topan M, Graovac A (1994) Layer matrices of walk degrees.

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