285 related articles for article (PubMed ID: 18037537)
1. An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation--a case study with CDK2/cyclinA.
Mascarenhas NM; Ghoshal N
Eur J Med Chem; 2008 Dec; 43(12):2807-18. PubMed ID: 18037537
[TBL] [Abstract][Full Text] [Related]
2. 3D-QSAR CoMFA study on indenopyrazole derivatives as cyclin dependent kinase 4 (CDK4) and cyclin dependent kinase 2 (CDK2) inhibitors.
Singh SK; Dessalew N; Bharatam PV
Eur J Med Chem; 2006 Nov; 41(11):1310-9. PubMed ID: 16890327
[TBL] [Abstract][Full Text] [Related]
3. CDK2/cyclinA inhibitors: targeting the cyclinA recruitment site with small molecules derived from peptide leads.
Castanedo G; Clark K; Wang S; Tsui V; Wong M; Nicholas J; Wickramasinghe D; Marsters JC; Sutherlin D
Bioorg Med Chem Lett; 2006 Mar; 16(6):1716-20. PubMed ID: 16384702
[TBL] [Abstract][Full Text] [Related]
4. Virtual screening studies to design potent CDK2-cyclin A inhibitors.
Vadivelan S; Sinha BN; Irudayam SJ; Jagarlapudi SA
J Chem Inf Model; 2007; 47(4):1526-35. PubMed ID: 17523616
[TBL] [Abstract][Full Text] [Related]
5. Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.
Wichapong K; Lindner M; Pianwanit S; Kokpol S; Sippl W
Eur J Med Chem; 2009 Apr; 44(4):1383-95. PubMed ID: 18976834
[TBL] [Abstract][Full Text] [Related]
6. Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening.
Lu XY; Chen YD; Jiang YJ; You QD
Eur J Med Chem; 2009 Sep; 44(9):3718-30. PubMed ID: 19428156
[TBL] [Abstract][Full Text] [Related]
7. Combined 3D-QSAR modeling and molecular docking study on 1,4-dihydroindeno[1,2-c]pyrazoles as VEGFR-2 kinase inhibitors.
Zeng H; Zhang H
J Mol Graph Model; 2010 Aug; 29(1):54-71. PubMed ID: 20471293
[TBL] [Abstract][Full Text] [Related]
8. Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design.
Kontopidis G; McInnes C; Pandalaneni SR; McNae I; Gibson D; Mezna M; Thomas M; Wood G; Wang S; Walkinshaw MD; Fischer PM
Chem Biol; 2006 Feb; 13(2):201-11. PubMed ID: 16492568
[TBL] [Abstract][Full Text] [Related]
9. Molecular modelling on small molecular CDK2 inhibitors: an integrated approach using a combination of molecular docking, 3D-QSAR and pharmacophore modelling.
Yuan H; Liu H; Tai W; Wang F; Zhang Y; Yao S; Ran T; Lu S; Ke Z; Xiong X; Xu J; Chen Y; Lu T
SAR QSAR Environ Res; 2013 Oct; 24(10):795-817. PubMed ID: 23941641
[TBL] [Abstract][Full Text] [Related]
10. Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Schormann N; Senkovich O; Walker K; Wright DL; Anderson AC; Rosowsky A; Ananthan S; Shinkre B; Velu S; Chattopadhyay D
Proteins; 2008 Dec; 73(4):889-901. PubMed ID: 18536013
[TBL] [Abstract][Full Text] [Related]
11. 3D-QSAR and docking studies on pyrazolo[4,3-h]qinazoline-3-carboxamides as cyclin-dependent kinase 2 (CDK2) inhibitors.
Lan P; Chen WN; Xiao GK; Sun PH; Chen WM
Bioorg Med Chem Lett; 2010 Nov; 20(22):6764-72. PubMed ID: 20869873
[TBL] [Abstract][Full Text] [Related]
12. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
Zhang Q; Yang J; Liang K; Feng L; Li S; Wan J; Xu X; Yang G; Liu D; Yang S
J Chem Inf Model; 2008 Sep; 48(9):1802-12. PubMed ID: 18707092
[TBL] [Abstract][Full Text] [Related]
13. Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1.
AbdulHameed MD; Hamza A; Liu J; Zhan CG
J Chem Inf Model; 2008 Sep; 48(9):1760-72. PubMed ID: 18717540
[TBL] [Abstract][Full Text] [Related]
14. Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2.
Zou J; Xie HZ; Yang SY; Chen JJ; Ren JX; Wei YQ
J Mol Graph Model; 2008 Nov; 27(4):430-8. PubMed ID: 18786843
[TBL] [Abstract][Full Text] [Related]
15. Rational prediction of the herbicidal activities of novel protoporphyrinogen oxidase inhibitors by quantitative structure-activity relationship model based on docking-guided active conformation.
Lei B; Li J; Lu J; Du J; Liu H; Yao X
J Agric Food Chem; 2009 Oct; 57(20):9593-8. PubMed ID: 19780536
[TBL] [Abstract][Full Text] [Related]
16. 3D-QSAR and molecular docking study on bisarylmaleimide series as glycogen synthase kinase 3, cyclin dependent kinase 2 and cyclin dependent kinase 4 inhibitors: an insight into the criteria for selectivity.
Dessalew N; Bharatam PV
Eur J Med Chem; 2007 Jul; 42(7):1014-27. PubMed ID: 17335939
[TBL] [Abstract][Full Text] [Related]
17. New scoring functions for virtual screening from molecular dynamics simulations with a quantum-refined force-field (QRFF-MD). Application to cyclin-dependent kinase 2.
Ferrara P; Curioni A; Vangrevelinghe E; Meyer T; Mordasini T; Andreoni W; Acklin P; Jacoby E
J Chem Inf Model; 2006; 46(1):254-63. PubMed ID: 16426061
[TBL] [Abstract][Full Text] [Related]
18. Exploring QSAR on 3-aminopyrazoles as antitumor agents for their inhibitory activity of CDK2/cyclin A.
Samanta S; Debnath B; Basu A; Gayen S; Srikanth K; Jha T
Eur J Med Chem; 2006 Oct; 41(10):1190-5. PubMed ID: 16806589
[TBL] [Abstract][Full Text] [Related]
19. Docking-based 3D-QSAR study for 11beta-HSD1 inhibitors.
Lee JH; Kang NS; Yoo SE
Bioorg Med Chem Lett; 2008 Apr; 18(7):2479-90. PubMed ID: 18314331
[TBL] [Abstract][Full Text] [Related]
20. Multitemplate alignment method for the development of a reliable 3D-QSAR model for the analysis of MMP3 inhibitors.
Tuccinardi T; Ortore G; Santos MA; Marques SM; Nuti E; Rossello A; Martinelli A
J Chem Inf Model; 2009 Jul; 49(7):1715-24. PubMed ID: 19522467
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]