3D-QSAR and docking studies of 3-arylquinazolinethione derivatives as selective estrogen receptor modulators

Journal of Molecular Modeling

Volumn 14, Issue 2, 2008, Pages 149-159

  Xiao, Aijing ^a   Zhang, Zhuoyong ^a   An, Liying ^a   Xiang, Yuhong ^a  

^a CAPITAL NORMAL UNIVERSITY   (China)

Author keywords

3 arylquinazolinethione; 3D QSAR; CoMFA; Dock; SERMs

Indexed keywords

3 ARYLQUINAZOLINONE DERIVATIVE; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; QUINAZOLINONE DERIVATIVE; SELECTIVE ESTROGEN RECEPTOR MODULATOR; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG DESIGN; DRUG MECHANISM; DRUG SELECTIVITY; ENZYME INHIBITION; GENETIC ALGORITHM; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN TARGETING; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

RUMEX;

EID: 38349051072     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0264-x     Document Type: Article

References (23)

1. Robinson-Rechavi M, Escriva GH, Laudet V (2003) J Cell Sci 116:585-586
2. Kuiper GGJM, Enmark E, Pelto-Huikko M, Nilsson S, Gustafsson J-A (1996) Proc Natl Acad Sci 93:5925-5930
3. Mosselman S, Polman J, Dijkema R (1996) FEBS Lett 392:49-53
4. Kuiper GGJM, Gustafsson J-A (1997) FEBS Lett 410:87-90
5. Kuiper GGJM, Carlsson B, Grandien K, Enmark E, Haeggblad J (1997) 138:863-870
6. Dechering K, Boersma Ch, Mosselman S (2000) Curr Med Chem 7:561-576
7. Subhendu M, Achintya S, Kunal R (2005) BMC Lett 15:957-961
8. Timur G, Chen Y, Rajasree G, Ma ZP, James RC (2006) J Med Chem 49:2440-2455
9. Yang GF, Lu HT, Xiong Y, Zhan CG (2006) BMC 14:1462-1473
10. Irwin RA, Menezes AT, Carlos AM (2006) STEROIDS 71:417-428
11. Pike AC, Brzozowski AM, Hubbard RE, Bonn T, Thorsell AG, Engstrom O, Ljunggren J, Gustafsson JA, Carlquist M (1999) Embo J. 18:4608-4618
12. Manual S, Louis MO (2005) Tripos Inc Sybyl 7.1
13. Goodsell DS, Olson AJ (1990) 8:195-202
14. Morris GM, Goodsell DS, Huey R, Olson AJ (1996) 10:293-304
15. Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, Olson AJ (1998) J Comp Chem 19:1639-1662
16. Solis FJ, Wets RJ (1981) B. Maths Pera Res 6:19-30
17. Weiner SJ, Kollman PA, Case DA, Singh C, Ghio G, Alagona S, Profeta P, Weiner PJ (1984) Am Chem Soc 106:765-771
18. Hu WX, Yun LH (1992) Chin Chem Lett 3:271-280
19. Pauling P, Datta N, Ramsay W, Forster R (1980) Proc Natl Acad Sci USA 77:708-721
20. Liu GX, Zhang ZS, Luo XM, Shen JH, Liu H, Shen X, Chen KX, Jiang HL (2004) BMC 12:1447-1457
21. Hawkins DM, Basak SC, Mills D (2003) J Chem Inf Comput Sci 43:579-586
22. Golbraikh A, Tropsha A (2002) J Mol Graph Model 20:269-276
23. Parker MA, Lewicka DM, Lucaites VL, Nelson DL, Nichols DE (1998) J Med Chem 41:5148-5162