QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents

Chemometrics and Intelligent Laboratory Systems

Volumn 107, Issue 2, 2011, Pages 269-275

  Mullen, Laverne M A ^a   Duchowicz, Pablo R ^a   Castro, Eduardo A ^a  

^a INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

Author keywords

Anticancer drug; Apoptosis; Melanoma cells; Molecular descriptors; QSAR Theory

Indexed keywords

DEXTRO PHENYLALANINE TRIPHENYLMETHYL; PHENETHYLAMINE TRIPHENYLMETHYL; PHOSPHONATE TRIPHENYLMETHYL; PHOSPHONOCHLORIDATE TRIPHENYLMETHYL; TRITYL DERIVATIVE; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; CANCER CELL CULTURE; CANCER INHIBITION; CELL PROLIFERATION; CONTROLLED STUDY; DATA ANALYSIS SOFTWARE; DRUG DETERMINATION; DRUG EFFECT; DRUG MECHANISM; DRUG POTENCY; DRUG RESEARCH; HUMAN; HUMAN CELL; IC 50; MATHEMATICAL MODEL; MELANOMA CELL; PHARMACOPHORE; PREDICTION; PRIORITY JOURNAL; PROCESS MODEL; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

EID: 79959795631     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2011.04.011     Document Type: Article

References (40)

1. Palchaudhuri R., Nesterenko V., Hergenrother P.J. J. Am. Chem. Soc. 2008, 130:10274.
2. Dothager R.S., Putt K.S., Allen B.J., Leslie B.J., Nesterenko V., Hergenrother P.J. J. Am. Chem. Soc. 2005, 127:8686.
3. Palchaudhuri R., Hergenrother P.J. Bioorg. Med. Chem. Lett. 2008, 18:5888.
4. Hansch C., Leo A. Exploring QSAR. Fundamentals and Applications in Chemistry and Biology 1995, American Chemical Society, Washington, D. C.
5. Katritzky A.R., Lobanov V.S., Karelson M. Chem. Soc. Rev. 1995, 24:279.
6. Diudea M.V.E. QSPR/QSAR Studies by Molecular Descriptors 2001, Nova Science Publishers, New York.
7. Todeschini R., Consonni V. Molecular Descriptors for Chemoinformatics 2009, Wiley-VCH, Weinheim.
8. Trinajstic N. Chemical Graph Theory 1992, CRC Press, Boca Raton (FL).
9. Hyperchem 6.03 2007, Hypercube, Inc, Gainesville. http://www.hyper.com.
10. Dragon, Milano Chemometrics and QSAR Research Group. http://michem.disat.unimib.it/chm.
11. Recon Version 5.5 Rensselaer Polytechnic Institute 2002, Troy, New York, USA, http://www.drugmining.com.
12. Lavine B.K., Davidson C.E., Breneman C., Katt W. J. Chem. Inf. Comput. Sci. 2003, 43:1890.
13. Worachartcheewan A., Nantasenamat C., Naenna T., Isarankura-Na-Ayudhya C., Prachayasittikul V. Eur. J. Med. Chem. 2009, 44:1664.
14. Bader R.F.W. Atoms in Molecules-A Quantum Theory 1990, Clarendon Press, Oxford.
15. Breneman C.M., Weber L.W. The Application of Charge Density Research to Chemistry and Drug Design 1991, Plenum, New York. G.A. Jeffrey, J.F. Piniella (Eds.).
16. Duchowicz P.R., Castro E.A., Fernández F.M., González M.P. Chem. Phys. Lett. 2005, 412:376.
17. Mercader A.G., Duchowicz P.R., Fernández F.M., Castro E.A. Chemom. Intell. Lab. Syst. 2008, 92:138.
18. Duchowicz P.R., Fernández M., Caballero J., Castro E.A., Fernández F.M. Bioorg. Med. Chem. 2006, 14:5876.
19. Duchowicz P.R., Vitale M.G., Castro E.A., Fernandez M., Caballero J. Bioorg. Med. Chem. 2007, 15:2680.
20. Duchowicz P.R., Talevi A., Bruno-Blanch L.E., Castro E.A. Bioorg. Med. Chem. 2008, 16:7944.
21. Duchowicz P.R., Goodarzi M., Ocsachoque M.A., Romanelli G.P., Ortiz E.V., Autino J.C., Bennardi D.O., Ruiz D., Castro E.A. Sci. Total Environ. 2009, 408:277.
22. Goodarzi M., Duchowicz P.R., Wu C.H., Fernández F.M., Castro E.A. J. Chem. Inf. Model. 2009, 49:1475.
23. Multicollinearity.doc © 2002 Jeeshim and KUCC625. (2003-05-09).
24. Curto J.D., Pinto J.C. Int. Stat. Rev. 2007, 75:114.
25. Coral 1.4 http://www.insilico.eu/coral.
26. ACD/ChemSketch Freeware version 12.01 2009, Advanced Chemistry Development, Inc, Toronto, ON, Canada. http://www.acdlabs.com.
27. Toropov A.A., Benfenati E. Curr. Drug Discov. Technol. 2007, 4:77.
28. Toropov A.A., Benfenati E. Bioorg. Med. Chem. 2008, 26:4801.
29. Toropov A.A., Toropova A.P., Benfenati E. Chem. Biol. Drug Des. 2009, 73:515.
30. Toropov A.A., Toropova A.P., Benfenati E., Leszczynska D., Leszczynski J. Eur. J. Med. Chem. 2010, 45:1387.
31. Wold S., Eriksson L. Statistical validation of QSAR results. Chemometrics Methods in Molecular Design 1995, 309. VCH, Weinheim. H. van de Waterbeemd (Ed.).
32. Hawkins D.M., Basak S.C., Mills D. J. Chem. Inf. Model. 2003, 43:579.
33. Golbraikh A., Tropsha A. J. Mol. Graphics Modell. 2002, 20:269.
34. Matlab 7.0, The MathWorks, Inc., 2008. http://www.mathworks.com.
35. Tute M.S. History and Objectives of Quantitative Drug Design in Advances in Drug Research 1971, 1. Academic Press, London. N.J. Harter, A.B. Simmord (Eds.).
36. Moreau G., Broto P. Nouv. J. Chim. 1980, 4:359.
37. Consonni V., Todeschini R., Pavan M., Gramatica P. J. Chem. Inf. Model. 2002, 42:693.
38. Galvez J., de Julian-Ortiz J.V., Garcia-Domenech R. J. Mol. Graphics Modell. 2001, 20:84.
39. Gramatica P., Corradi M., Consonni V. Chemosphere 2000, 41:763.
40. Burden F.R. J. Chem. Inf. Model. 1989, 29:225.