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References
- Burdick D.,DeOrazio R.,Guzzo P.,Habershaw A.,Helle M.,Paul B.,Wolf M., 2010,Synthesis and structure-activity relationship of
- substitutions at the C-1 position of 9-tetrahydrocannabinol ,Bioorganic and Medicinal Chemistry Letters , 20 , 1424-1426.
- Gutman I, 1994, Graph Theory Notes, New York, 27, 9, (b) Khadikar P. V., Lukvits I., Agrawal V. K., Gutman S., Karmakar S. and
- Srivastava A., 2003,Ind. J. Chem., 42(A), 1436.
- Randic M, 1975,J. Am. Chem. Soc. ,97, p. 6609-6615.
- Randic M., 1993,Novel molecular descriptors in structure property studies, chem. Phys. Lett. 211, p 478-483.
- Weiner H., Amer. Chem. Soc., 1947, 69, 17; (b) Weiner H., J. Amer. Chem. Soc., 1947, 69, 2636.
- Pauling L., The Nature of Chemical Bond Chap-2, Cornell University Press, Itacha, New York, 1939.
- Acd-Lab software for calculating the referred physicochemical parameters.Chemsketch..
- DRAGON Software for calculation of topological indices.< www.disat unimib. It>.
- Chaurasia S., Srivastava A. K., Nath A., Srivastava M. K., Pandey A., 2007.Quantitative Structure Activity Relationship Studies on a
- Series of Tetrahydroquinoline-based Farnesyltransferase Inhibitors. Oxidation Communication (Bulgaria) 30, 778-787.
- Recanatini M., Klein T., Yang C. Z., McClarin J., Langridge R., Mol. Pharmacol.,1986, 29, 436.
- Hanch C., Fujita T., 1964.p-σ-π Analysis. A method for the correlation of biological activity and chemical structure. J Am
- Chem Soc, 86, 1616-1626.
- Srivastava A. K.,Pandey A.,Srivastava A.,Shukla N., 2011.QSAR Based modeling of hepatitis C virus NS5B inhibitors..J Saudi
- Chemical Society,15,25-28.
- Srivastava A. K., Jaiswal M., Archana, Pathak V. K., 2009.Molecular modeling of anti-HIV activity of bifunctional betulinic acid
- derivative with physicochemical parameters. Oxidation Communications, 32 (2), 455-462.
- Srivastava A. K., Jaiswal M., Archana, Srivastava A., 2009.QSAR modeling of selective cc chemokine receptor 3 (CCR3) antagonists
- using physicochemical parameters. Oxidation Communications, 32(1), 55-61.
- Srivastava A. K., Archana, Jaiswal M., 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. Oxidation Communications, 31(1), 44-51.
- Srivastava A. K., Jaiswal M., Archana, Chaurasia S., 2008.QSAR of substituted N-benzyl piperidines in the GBR series. J Indian
- Chem Soc, 85, 842-848.
- Srivastava A. K., Pathak V. K., Archana, Jaiswal M., 2008. QSAR based modeling of a new class of RNA polymerase inhibitors. J
- Indian Chem. Soc, 85, 627-631.
- Agarwal V. K., Singh J., Louis B., Khadikar P. V., 2006.The topology of molecule and its lipophilicity. Current Computer Aided
- Design, 2, 369-403.
- Agarwal V. K., Gupta M., Singh J., Khadikar P. V., 2005.A novel method of estimation of lipophilicity using distance based
- topological indices:dominating role of equalized electronegativity. Bioorg Med Chem, 13(6),2109-2120.
- Agarwal V. K., Bano S., Khadikar P. V., 2003.Topological approach to quantifying molecular lipophilicity of heterogenous set of
- organic compounds. Bioorg Med Chem, 11(18), 4039-4047.
- Khadikar P. V., Jaiswal M., Gupta M., Mandolai D., Sisodia R. S., 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(4),1249-1255.
- Khadikar P. V., Sharma V., Verma R. G., 2005.Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular
- descriptor. Bioorg Med Chem Lett, 15(2), 421- 425.
- Khadikar P. V., Singh S., Mandoloi D., Joshi, S., Bajaj A. V., 2003.QSAR study on bioconcentration factor (BCF) of polyhaloginated
- biphenlys using the PI index. Bioorg Med Chem, 11(23), 5045-5050.
- .Khadikar P. V., Mandoloi D., Bajaj A .V., Joshi S., 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(3),419-422.
- Khadikar P. V., Singh S., Srivastava A., 2002.Novel estimation of lipophilic behavioural polychlorinated biphenys. Bioorg Med
- Chem Lett, 12(7), 1125-1128.
- Jaiswal M., Khadikar P. V., Supuran C. T., 2004. Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition
- activity of benzene sulphonamides:a molecular connectivity approach. Bioorg Med Chem Lett, 14(22), 5661-5666.
- Thakur M., Agarwal A., Thakur A., Khadikar P. V., 2004.QSAR study on phenolic activity: need of positive hydrophobic term (logP)
- in QSAR. Bioorg Med Chem, 12, 2287-2293.
- Bikash D., Shovanlal G., Subrata B., Soma S., Jha T., 2003.QSAR study on some pyridoacridine ascididamine analogues as antitumor
- agents. J Bioorg Med Chem , 11(24),5493-5499.
- Diudea M. V., 2000.QSPR/QSAR studies for molecular descriptors Ed Nova Science Hunting don, NewYork.
- Pogliani L., 1994.Structural property relationships of amine acids and some Peptides. Aminoacids, 6, 141.
- Pogliani L., 1996.Modeling with special descriptors derived from a medium size set of connectivity indices. J Phys Chem, 100,
- Cramer R. D. III, Bunce J. D., Patterson D. E., 1988.Cross validation, Bootstrapping, and partial least squares compared with multiple
- regression in conventional QSAR studies. Quant Struct Act Relat, 7, 18.
- Podlgar B. L., Ferguson D. M., 2000.QSAR and CoMFA: a perspective on the practical application to drug discovery. Drug Des
- Discov, 7(1), 4-12.
- Chattergee S., Hadi A. S., 2000.Price B Regression analysis by example 3rd Edn Willey Vch New York.
References
Burdick D.,DeOrazio R.,Guzzo P.,Habershaw A.,Helle M.,Paul B.,Wolf M., 2010,Synthesis and structure-activity relationship of
substitutions at the C-1 position of 9-tetrahydrocannabinol ,Bioorganic and Medicinal Chemistry Letters , 20 , 1424-1426.
Gutman I, 1994, Graph Theory Notes, New York, 27, 9, (b) Khadikar P. V., Lukvits I., Agrawal V. K., Gutman S., Karmakar S. and
Srivastava A., 2003,Ind. J. Chem., 42(A), 1436.
Randic M, 1975,J. Am. Chem. Soc. ,97, p. 6609-6615.
Randic M., 1993,Novel molecular descriptors in structure property studies, chem. Phys. Lett. 211, p 478-483.
Weiner H., Amer. Chem. Soc., 1947, 69, 17; (b) Weiner H., J. Amer. Chem. Soc., 1947, 69, 2636.
Pauling L., The Nature of Chemical Bond Chap-2, Cornell University Press, Itacha, New York, 1939.
Acd-Lab software for calculating the referred physicochemical parameters.Chemsketch..
DRAGON Software for calculation of topological indices.< www.disat unimib. It>.
Chaurasia S., Srivastava A. K., Nath A., Srivastava M. K., Pandey A., 2007.Quantitative Structure Activity Relationship Studies on a
Series of Tetrahydroquinoline-based Farnesyltransferase Inhibitors. Oxidation Communication (Bulgaria) 30, 778-787.
Recanatini M., Klein T., Yang C. Z., McClarin J., Langridge R., Mol. Pharmacol.,1986, 29, 436.
Hanch C., Fujita T., 1964.p-σ-π Analysis. A method for the correlation of biological activity and chemical structure. J Am
Chem Soc, 86, 1616-1626.
Srivastava A. K.,Pandey A.,Srivastava A.,Shukla N., 2011.QSAR Based modeling of hepatitis C virus NS5B inhibitors..J Saudi
Chemical Society,15,25-28.
Srivastava A. K., Jaiswal M., Archana, Pathak V. K., 2009.Molecular modeling of anti-HIV activity of bifunctional betulinic acid
derivative with physicochemical parameters. Oxidation Communications, 32 (2), 455-462.
Srivastava A. K., Jaiswal M., Archana, Srivastava A., 2009.QSAR modeling of selective cc chemokine receptor 3 (CCR3) antagonists
using physicochemical parameters. Oxidation Communications, 32(1), 55-61.
Srivastava A. K., Archana, Jaiswal M., 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. Oxidation Communications, 31(1), 44-51.
Srivastava A. K., Jaiswal M., Archana, Chaurasia S., 2008.QSAR of substituted N-benzyl piperidines in the GBR series. J Indian
Chem Soc, 85, 842-848.
Srivastava A. K., Pathak V. K., Archana, Jaiswal M., 2008. QSAR based modeling of a new class of RNA polymerase inhibitors. J
Indian Chem. Soc, 85, 627-631.
Agarwal V. K., Singh J., Louis B., Khadikar P. V., 2006.The topology of molecule and its lipophilicity. Current Computer Aided
Design, 2, 369-403.
Agarwal V. K., Gupta M., Singh J., Khadikar P. V., 2005.A novel method of estimation of lipophilicity using distance based
topological indices:dominating role of equalized electronegativity. Bioorg Med Chem, 13(6),2109-2120.
Agarwal V. K., Bano S., Khadikar P. V., 2003.Topological approach to quantifying molecular lipophilicity of heterogenous set of
organic compounds. Bioorg Med Chem, 11(18), 4039-4047.
Khadikar P. V., Jaiswal M., Gupta M., Mandolai D., Sisodia R. S., 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(4),1249-1255.
Khadikar P. V., Sharma V., Verma R. G., 2005.Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular
descriptor. Bioorg Med Chem Lett, 15(2), 421- 425.
Khadikar P. V., Singh S., Mandoloi D., Joshi, S., Bajaj A. V., 2003.QSAR study on bioconcentration factor (BCF) of polyhaloginated
biphenlys using the PI index. Bioorg Med Chem, 11(23), 5045-5050.
.Khadikar P. V., Mandoloi D., Bajaj A .V., Joshi S., 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(3),419-422.
Khadikar P. V., Singh S., Srivastava A., 2002.Novel estimation of lipophilic behavioural polychlorinated biphenys. Bioorg Med
Chem Lett, 12(7), 1125-1128.
Jaiswal M., Khadikar P. V., Supuran C. T., 2004. Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition
activity of benzene sulphonamides:a molecular connectivity approach. Bioorg Med Chem Lett, 14(22), 5661-5666.
Thakur M., Agarwal A., Thakur A., Khadikar P. V., 2004.QSAR study on phenolic activity: need of positive hydrophobic term (logP)
in QSAR. Bioorg Med Chem, 12, 2287-2293.
Bikash D., Shovanlal G., Subrata B., Soma S., Jha T., 2003.QSAR study on some pyridoacridine ascididamine analogues as antitumor
agents. J Bioorg Med Chem , 11(24),5493-5499.
Diudea M. V., 2000.QSPR/QSAR studies for molecular descriptors Ed Nova Science Hunting don, NewYork.
Pogliani L., 1994.Structural property relationships of amine acids and some Peptides. Aminoacids, 6, 141.
Pogliani L., 1996.Modeling with special descriptors derived from a medium size set of connectivity indices. J Phys Chem, 100,
Cramer R. D. III, Bunce J. D., Patterson D. E., 1988.Cross validation, Bootstrapping, and partial least squares compared with multiple
regression in conventional QSAR studies. Quant Struct Act Relat, 7, 18.
Podlgar B. L., Ferguson D. M., 2000.QSAR and CoMFA: a perspective on the practical application to drug discovery. Drug Des
Discov, 7(1), 4-12.
Chattergee S., Hadi A. S., 2000.Price B Regression analysis by example 3rd Edn Willey Vch New York.