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Results: 1 to 20 of 136

1.

2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database.

Baurin N, Mozziconacci JC, Arnoult E, Chavatte P, Marot C, Morin-Allory L.

J Chem Inf Comput Sci. 2004 Jan-Feb;44(1):276-85.

PMID:
14741037
[PubMed - indexed for MEDLINE]
2.

Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example.

Rollinger JM, Haupt S, Stuppner H, Langer T.

J Chem Inf Comput Sci. 2004 Mar-Apr;44(2):480-8.

PMID:
15032527
[PubMed - indexed for MEDLINE]
3.

QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors.

Kauffman GW, Jurs PC.

J Chem Inf Comput Sci. 2001 Nov-Dec;41(6):1553-60.

PMID:
11749582
[PubMed - indexed for MEDLINE]
4.

Combined MEDV-GA-MLR method for QSAR of three panels of steroids, dipeptides, and COX-2 inhibitors.

Liu SS, Yin CS, Wang LS.

J Chem Inf Comput Sci. 2002 May-Jun;42(3):749-56.

PMID:
12086537
[PubMed - indexed for MEDLINE]
5.

Cyclooxygenase (COX) inhibitors: a comparative QSAR study.

Garg R, Kurup A, Mekapati SB, Hansch C.

Chem Rev. 2003 Mar;103(3):703-32. Review. No abstract available.

PMID:
12630850
[PubMed - indexed for MEDLINE]
6.

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening.

Hsieh JH, Wang XS, Teotico D, Golbraikh A, Tropsha A.

J Comput Aided Mol Des. 2008 Sep;22(9):593-609. doi: 10.1007/s10822-008-9199-2. Epub 2008 Mar 13.

PMID:
18338225
[PubMed - indexed for MEDLINE]
7.

Optimization and validation of a docking-scoring protocol; application to virtual screening for COX-2 inhibitors.

Mozziconacci JC, Arnoult E, Bernard P, Do QT, Marot C, Morin-Allory L.

J Med Chem. 2005 Feb 24;48(4):1055-68.

PMID:
15715473
[PubMed - indexed for MEDLINE]
8.

Quantitative structure activity relationship studies of diaryl thiophen derivatives as selective COX-2 inhibitors.

Shahapurkar S, Kawathekar N, Chaturvedi SC.

Pharmazie. 2005 Apr;60(4):254-8.

PMID:
15881602
[PubMed - indexed for MEDLINE]
9.

A rationale for the activity profile of benzenesulfonamide derivatives as cyclooxygenase (COX) inhibitors.

Sharma BK, Singh P, Shekhawat M, Pilania P.

Eur J Med Chem. 2010 Jun;45(6):2389-95. doi: 10.1016/j.ejmech.2010.02.019. Epub 2010 Feb 12.

PMID:
20211512
[PubMed - indexed for MEDLINE]
10.

[Three dimensional quantitative structure-activity relationship of heterocyclic-compounds with di-tert-bultylphenyl inhibitors].

Bai AP, Guo ZR, Chu FM.

Yao Xue Xue Bao. 2001 May;36(5):347-50. Chinese.

PMID:
12584856
[PubMed - indexed for MEDLINE]
11.

QSAR studies on structurally similar 2-(4-methanesulfonylphenyl)pyran-4-ones as selective COX-2 inhibitors: a Hansch approach.

Prasanna S, Manivannan E, Chaturvedi SC.

Bioorg Med Chem Lett. 2005 Jan 17;15(2):313-20.

PMID:
15603946
[PubMed - indexed for MEDLINE]
12.

QSAR and classification models of a novel series of COX-2 selective inhibitors: 1,5-diarylimidazoles based on support vector machines.

Liu HX, Zhang RS, Yao XJ, Liu MC, Hu ZD, Fan BT.

J Comput Aided Mol Des. 2004 Jun;18(6):389-99.

PMID:
15663000
[PubMed - indexed for MEDLINE]
13.

QSAR analyses of conformationally restricted 1,5-diaryl pyrazoles as selective COX-2 inhibitors: application of connection table representation of ligands.

Prasanna S, Manivannan E, Chaturvedi SC.

Bioorg Med Chem Lett. 2005 Apr 15;15(8):2097-102.

PMID:
15808476
[PubMed - indexed for MEDLINE]
14.

Partially unified multiple property recursive partitioning (PUMP-RP) analyses of cyclooxygenase (COX) inhibitors.

Rao SN, Stockfisch TP.

J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1614-22.

PMID:
14502496
[PubMed - indexed for MEDLINE]
15.

QSAR analysis of some fused pyrazoles as selective cyclooxygenase-2 inhibitors: a Hansch approach.

Prasanna S, Manivannan E, Chaturvedi SC.

Arch Pharm (Weinheim). 2004 Aug;337(8):440-4.

PMID:
15293263
[PubMed - indexed for MEDLINE]
16.

Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Chavatte P, Yous S, Marot C, Baurin N, Lesieur D.

J Med Chem. 2001 Sep 27;44(20):3223-30.

PMID:
11563921
[PubMed - indexed for MEDLINE]
17.

Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds.

Shen M, B├ęguin C, Golbraikh A, Stables JP, Kohn H, Tropsha A.

J Med Chem. 2004 Apr 22;47(9):2356-64.

PMID:
15084134
[PubMed - indexed for MEDLINE]
18.

QSAR analysis of 1,3-diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives as selective COX-2 inhibitors.

Silakari P, Shrivastava SD, Silakari G, Kohli DV, Rambabu G, Srivastava S, Shrivastava SK, Silakari O.

Eur J Med Chem. 2008 Jul;43(7):1559-69. Epub 2007 Oct 11.

PMID:
18023931
[PubMed - indexed for MEDLINE]
19.

CoMFA and CoMSIA 3D QSAR studies on pimarane cyclooxygenase-2 (COX-2) inhibitors.

Lee KO, Park HJ, Kim YH, Seo SY, Lee YS, Moon SH, Kim NJ, Choi NS, Suh YG.

Arch Pharm Res. 2004 May;27(5):467-70.

PMID:
15202549
[PubMed - indexed for MEDLINE]
20.

Quantitative structure activity relationship studies of diaryl furanones as selective COX-2 inhibitors.

Shahapurkar S, Pandya T, Kawathekar N, Chaturvedi SC.

Eur J Med Chem. 2004 Oct;39(10):899-904.

PMID:
15782440
[PubMed - indexed for MEDLINE]
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