CP-MLR directed QSAR studies on the antimycobacterial activity of functionalized alkenols-topological descriptors in modeling the activity

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 2, 2005, Pages 343-351

  Gupta, Manish K ^a   Sagar, Ram ^a   Shaw, Arun K ^a   Prabhakar, Yenamandra S ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

Antimycobacterial activity; Combinatorial protocol in multiple linear regression (CP MLR); Functionalized heptenol octenol; QSAR study; Topological descriptors

Indexed keywords

ANTIINFECTIVE AGENT;

ANTIMICROBIAL ACTIVITY; ARITHMETIC; ARTICLE; COMBINATORIAL CHEMISTRY; CORRELATION ANALYSIS; DRUG ACTIVITY; LINEAR REGRESSION ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALCOHOLS; ANTI-BACTERIAL AGENTS; COMBINATORIAL CHEMISTRY TECHNIQUES; LINEAR MODELS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 10444245869     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2004.10.025     Document Type: Article

References (25)

1. C. Dye, S. Scheele, P. Dolin, V. Pathania, and M.C. Raviglione JAMA 282 1999 677
2. S. Khasnobis, V.E. Escuyer, and D. Chatterjee Expert Opin. Ther. Targets 6 2000 21
3. A. Somoskovi, L.M. Parsons, and M. Salfinger Respir. Res. 2 2001 164
4. E. Teodori, S. Dei, S. Scapecchi, and F. Gualtieri Il Farmaco 57 2002 385
5. T.R. Frieden, T.R. Sterling, S.S. Munsiff, C.J. Watt, and C. Dye Lancet 362 2003 887
6. C.V. Smith, V. Sharma, and J.C. Sacchettini Tuberculosis 84 2004 45
7. K.W. Bayles Trends Microbiol. 8 2000 274
8. M. McNeil, S.J. Wallner, S.W. Hunter, and P.J. Brennan Carbohydr. Res. 166 1987 299
9. M. Daffe, P.J. Brennan, and M. McNeil J. Biol. Chem. 265 1990 6734
10. P.B. Jones, N.M. Parrish, T.A. Houston, A. Stapon, N.P. Bansal, J.D. Dick, and C.A. Townsend J. Med. Chem. 43 2000 3304
11. K.F.M. Pasqualoto, and E.I. Ferreira Curr. Drug Targets 2 2001 427
12. A.K. Pathak, V. Pathak, J.A. Maddry, W.J. Suling, S.S. Gurcha, G.S. Besra, and R.C. Reynolds Bioorg. Med. Chem. 9 2001 3145
13. L. Savini, L. Chiasserini, A. Gaeta, and C. Pellerano Bioorg. Med. Chem. 10 2002 2193
14. A.H. Katz, and C.E. Caufield Curr. Pharm. Design 9 2003 857
15. R. Pathak, A.K. Shaw, A.P. Bhaduri, K.V.G. Chandrasekhar, A. Shrivastava, K.K. Shrivastava, V. Chaturvedi, R. Shrivastava, B.S. Shrivastava, S. Arora, and S. Sinha Bioorg. Med. Chem. 10 2002 1695
16. R. Pathak, C.S. Pant, A.K. Shaw, A.P. Bhaduri, A.N. Gaikwad, S. Sinha, A. Shrivastava, K.K. Shrivastava, V. Chaturvedi, R. Shrivastava, and B.S. Shrivastava Bioorg. Med. Chem. 10 2002 3187
17. Dragon software (version 1.11-2001) by Todeschini, R.; Consonni, V. Milano, Italy and references cited therein. http://disat.unimib.it/chm/Dragon. htm
18. Y.S. Prabhakar QSAR Comb. Sci. 22 2003 583
19. Y.S. Prabhakar Internet Electron. J. Mol. Des. 3 2004 150 http://www.biochempress.com
20. Y.S. Prabhakar, V.R. Solomon, R.K. Rawal, M.K. Gupta, and S.B. Katti QSAR Comb. Sci. 23 2004 234
21. The complete descriptor dataset of all compounds will be provided on request
22. P. Broto, G. Moreau, and C. Vandycke Eur. J. Med. Chem. 19 1984 66
23. ChemDraw Ultra 6.0 and Chem3D Ultra, Cambridge Soft Corporation, Cambridge, USA
24. HyperChem Release 3, 1993, Autodesk, California, USA
25. S.S. So, and M. Karplus J. Med. Chem. 40 1997 4360