Quantitative structure activity relationship (QSAR) studies on a series of imidazole derivatives as novel ORL1 receptor antagonists

Acd-Lab software for calculating the referred physicochemical parameters. Chemsketch. <http://www.acdlabs.com/acdlabs-rss-feed.xml Agarwal, 2003, Topological approach to quantifying molecular lipophilicity of heterogenous set of organic compounds, Bioorg. Med. Chem., 11, 4039, 10.1016/S0968-0896(03)00370-5 Agarwal, 2005, A novel method of estimation of lipophilicity using distance based topological indices: dominating role of equalized electronegativity, Bioorg. Med. Chem., 13, 2109, 10.1016/j.bmc.2005.01.003 Agarwal, 2006, The topology of molecule and its lipophilicity, Curr. Comput. Aided Des., 2, 369, 10.2174/157340906778992364 Bikash, 2003, QSAR study on some pyridoacridine ascididiamine analogues as anti-tumor agents, Bioorg. Med. Chem., 11, 5493, 10.1016/j.bmc.2003.09.022 Chattergee, 2000 Chaurasia, 2007, Quantitative structure activity relationship studies on a series of tetrahydroquinoline-based farnesyltransferase inhibitors, Oxid. Commun. (Bulgaria), 30, 778 Cramer, 1988, Cross validation, Bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies, Quant. Struct. Act. Relat., 7, 18, 10.1002/qsar.19880070105 Diudea, M.V., 2000. QSPR/QSAR studies for molecular descriptors Ed Nova Science Hunting don, New York. DRAGON Software for calculation of topological indices. <http://www.disatunimib.it Garg, 2003, Searching for allosteric effects via QSAR Part II, Biorg. Med. Chem., 2, 621, 10.1016/S0968-0896(02)00382-6 Hanch, 1964, p–σ–π. Analysis A method for the correlation of biological activity and chemical structure, J. Am. Chem. Soc., 86, 1616, 10.1021/ja01062a035 Jaiswal, 2004, Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulphonamides:a molecular connectivity approach, Bioorg. Med. Chem. Lett., 14, 5661, 10.1016/j.bmcl.2004.08.051 Khadikar, 2002, Novel estimation of lipophilic behavioural polychlorinated biphenys, Bioorg. Med. Chem. Lett., 12, 1125, 10.1016/S0960-894X(02)00086-0 Khadikar, 2003, QSAR study on bioconcentration factor (BCF) of polyhaloginated biphenlys using the PI index, Bioorg. Med. Chem., 11, 5045, 10.1016/j.bmc.2003.08.028 Khadikar, 2003, QSAR study on solubility of alkanes in water and their partition coefficient in different solvent system using PI index, Bioorg. Med. Chem. Lett., 13, 419, 10.1016/S0960-894X(02)00953-8 Khadikar, 2005, QSAR studies on 1,2-dithiol-3-thiones :modeling of lipophilicity, quinone reductase specific activity and production of growth hormone, Bioorg. Med. Chem. Lett., 15, 1249, 10.1016/j.bmcl.2004.11.074 Khadikar, 2005, Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor, Bioorg. Med. Chem. Lett., 15, 421, 10.1016/j.bmcl.2004.10.075 Podlgar, 2000, QSAR and CoMFA: a perspective on the practical application to drug discovery, Drug Des. Discov., 7, 4 Pogliani, 1994, Structural property relationships of amine acids and some Peptides, Aminoacids, 6, 141 Pogliani, 1996, Modeling with special descriptors derived from a medium size set of connectivity indices, J. Phys. Chem., 100, 1806, 10.1021/jp961434c Recantint, 1986, Quantitative structure-activity relationships and molecular graphics in ligand receptor interactions: amidine inhibition of trypsin, Mol. Pharmacol., 29, 436 Srivastava, 2008, A series of p-Arylthio cinnamides as QSAR studies on antagonists of Biochemical ICAM-1/LFA-1 Interaction in Relation to anti-inflammatory activity, Oxid. Commun., 31, 44 Srivastava, 2008, QSAR of substituted N-benzyl piperidines in the GBR series, J. Ind. Chem. Soc., 85, 842 Srivastava, 2008, QSAR based modeling of a new class of RNA polymerase inhibitors, J. Ind. Chem. Soc., 85, 627 Srivastava, 2009, Molecular modeling of anti-HIV activity of bifunctional betulinic acid derivative with physicochemical parameters, Oxid. Commun., 32, 455 Srivastava, 2009, QSAR modeling of selective cc chemokine receptor 3 (CCR3) antagonists using physicochemical parameters, Oxid. Commun., 32, 55 Srivastava, 2011, QSAR Based modeling of hepatitis C virus NS5B inhibitors, J. Saudi Chem. Soc., 15, 25, 10.1016/j.jscs.2010.09.007 Sugimoto, 2009, Synthesis and biological evaluation of imidazole derivatives as novel NOP/ORL1 receptor antagonists: exploration and optimization of alternative pyrazole structure, Bioorg. Med. Chem. Lett., 19, 4611, 10.1016/j.bmcl.2009.06.095 Thakur, 2004, QSAR study on phenolic activity: need of positive hydrophobic term (logP) in QSAR, Bioorg. Med. Chem., 12, 2287, 10.1016/j.bmc.2004.02.010