Use of 3D QSAR to investigate the mode of binding of pyrazinones to HIV-1 RT

Monatshefte fur Chemie

Volumn 140, Issue 6, 2009, Pages 587-594

  Saparpakorn, Patchreenart ^a   Thammaporn, Ratsupa ^a   Hannongbua, Supa ^a  

^a KASETSART UNIVERSITY   (Thailand)

Author keywords

CoMFA; CoMSIA; HIV 1; Molecular docking; NNRTI

Indexed keywords

EID: 67349181385     PISSN: 00269247     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00706-008-0093-3     Document Type: Article

References (21)

1. C Tantillo J Ding A Jacobo-Molina RG Nanni PL Boyer SH Hughes R Pauwels K Andries PA Janssen E Arnold 1994 J Mol Biol 243 369
2. E De Clercq 1995 Clin Microbiol Rev 8 200
3. L Menéndez-Arias 2002 Trends Pharmacol Sci 23 381
4. DW Ludovici RW Kavash MJ Kukla CY Ho H Ye BL De Corte K Andries MP De Béthune H Azijn R Pauwels HEL Moereels J Heeres LMH Koymans MR De Jonge KJA Van Aken FFD Daeyaert PJ Lewi K Das E Arnold PAJ Janssen 2001 Bioorg Med Chem Lett 11 2229
5. DW Ludovici BL De Corte MJ Kukla H Ye CY Ho MA Lichtenstein RW Kavash K Andries MP De Béthune H Azijn R Pauwels PJ Lewi J Heeres LMH Koymans MR De Jonge KJA Van Aken FFD Daeyaert K Das E Arnold PAJ Janssen 2001 Bioorg Med Chem Lett 11 2235
6. K Andries H Azijn T Thielemans D Ludovici M Kukla J Heeres P Janssen B De Corte J Vingerhoets R Pauwels MP De Béthune 2004 Antimicrob Agents Chemother 48 4680
7. R Ragno A Coluccia G La Regina G De Martino F Piscitelli A Lavecchia E Novellino A Bergamini C Ciaprini A Sinistro G Maga E Crespan M Artico RJ Silvestri 2006 J Med Chem 49 3172
8. C Mordant B Schmitt E Pasquier C Demestre L Queguiner C Masungi A Peeters L Smeulders E Bettens K Hertogs J Heeres P Lewi J Guillemont 2007 Eur J Med Chem 42 567
9. J Heeres MR De Jonge LMH Koymans FFD Daeyaert M Vinkers KJA Van Aken E Arnold K Das A Kilonda GJ Hoornaert F Compernolle M Cegla RA Azzam K Andries M De Béthune H Azijn R Pauwels PJ Lewi PAJ Janssen 2005 J Med Chem 48 1910
10. RD Cramer III DE Patterson JD Bunce 1988 J Am Chem Soc 110 5959
11. G Klebe U Abraham T Mietzner 1994 J Med Chem 37 4130
12. ML Barreca A Carotti A Carrieri A Chimirri AM Monforte MP Calace A Rao 1999 Bioorg Med Chem 7 2283
13. S Sciabola E Carosati M Baroni R Mannhold 2005 J Med Chem 48 3756
14. P Pungpo P Saparpakorn P Wolschann S Hannongbua 2006 SAR QSAR Environ Res 17 353
15. Z Zhou JD Madura 2004 J Chem Inf Comput Sci 44 2167
16. JL Medina-Franco S Rodríguez-Morales C Juárez-Gordiano A Hernández-Campos RJ Castillo 2004 J Comput Aided Mol Des 18 345
17. MDM AbdulHameed A Hamza J Liu C Zhan 2008 J Chem Inf Model 48 1760
18. Frisch MJ et al (2003) Gaussian03. Gaussian, Inc., Pittsburgh
19. SYBYL 7.0 TRIPOS, Assoc., Inc., St. Louis, MO
20. K Das AD Clark Jr PJ Lewi J Heeres MR De Jonge LM Koymans HM Vinkers F Daeyaert DW Ludovici MJ Kukla B De Corte RW Kavash CY Ho H Ye MA Lichtenstein K Andries R Pauwles MP Debethune PL Boyer P Clark SH Hughes PA Janssen E Arnold 2004 J Med Chem 47 2550
21. GM Morris DS Goodsell RS Halliday R Huey WE Hart RK Belew AJ Olson 1998 J Comput Chem 19 1639