155 related articles for article (PubMed ID: 22996593)
1. Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach.
Tripathi SK; Singh SK; Singh P; Chellaperumal P; Reddy KK; Selvaraj C
J Mol Recognit; 2012 Oct; 25(10):504-12. PubMed ID: 22996593
[TBL] [Abstract][Full Text] [Related]
2. Study of a ligand complexed with Cdk2/Cdk4 by computer simulation.
Jiang Y; Zou J; Gui C
J Mol Model; 2005 Nov; 11(6):509-15. PubMed ID: 15928920
[TBL] [Abstract][Full Text] [Related]
3. Pyrazolo[3,4-c]pyridazines as novel and selective inhibitors of cyclin-dependent kinases.
Braña MF; Cacho M; García ML; Mayoral EP; López B; de Pascual-Teresa B; Ramos A; Acero N; Llinares F; Muñoz-Mingarro D; Lozach O; Meijer L
J Med Chem; 2005 Nov; 48(22):6843-54. PubMed ID: 16250643
[TBL] [Abstract][Full Text] [Related]
4. An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibitors.
Li Y; Gao W; Li F; Wang J; Zhang J; Yang Y; Zhang S; Yang L
Mol Biosyst; 2013 Sep; 9(9):2266-81. PubMed ID: 23864105
[TBL] [Abstract][Full Text] [Related]
5. Molecular simulation studies on the binding selectivity of 2-anilino-4-(thiazol-5-yl)-pyrimidines in complexes with CDK2 and CDK7.
Chohan TA; Qian HY; Pan YL; Chen JZ
Mol Biosyst; 2016 Jan; 12(1):145-61. PubMed ID: 26565382
[TBL] [Abstract][Full Text] [Related]
6. Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors.
Lee J; Kim KH; Jeong S
Bioorg Med Chem Lett; 2011 Jul; 21(14):4203-5. PubMed ID: 21684737
[TBL] [Abstract][Full Text] [Related]
7. Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Le Brazidec JY; Pasis A; Tam B; Boykin C; Wang D; Marcotte DJ; Claassen G; Chong JH; Chao J; Fan J; Nguyen K; Silvian L; Ling L; Zhang L; Choi M; Teng M; Pathan N; Zhao S; Li T; Taveras A
Bioorg Med Chem Lett; 2012 Jun; 22(12):4033-7. PubMed ID: 22607669
[TBL] [Abstract][Full Text] [Related]
8. Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors.
Wang F; Ma Z; Li Y; Zhu S; Xiao Z; Zhang H; Wang Y
J Mol Graph Model; 2011 Sep; 30():67-81. PubMed ID: 21763166
[TBL] [Abstract][Full Text] [Related]
9. Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors.
Tripathi SK; Muttineni R; Singh SK
J Theor Biol; 2013 Oct; 334():87-100. PubMed ID: 23727278
[TBL] [Abstract][Full Text] [Related]
10. An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Echalier A; Cot E; Camasses A; Hodimont E; Hoh F; Jay P; Sheinerman F; Krasinska L; Fisher D
Chem Biol; 2012 Aug; 19(8):1028-40. PubMed ID: 22921070
[TBL] [Abstract][Full Text] [Related]
11. Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Wood DJ; Korolchuk S; Tatum NJ; Wang LZ; Endicott JA; Noble MEM; Martin MP
Cell Chem Biol; 2019 Jan; 26(1):121-130.e5. PubMed ID: 30472117
[TBL] [Abstract][Full Text] [Related]
12. Inhibitors of Cyclin-Dependent Kinase 1/2 for Anticancer Treatment.
Mou J; Chen D; Deng Y
Med Chem; 2020; 16(3):307-325. PubMed ID: 31241436
[TBL] [Abstract][Full Text] [Related]
13. Molecular models of cyclin-dependent kinase 1 complexed with inhibitors.
Canduri F; Uchoa HB; de Azevedo WF
Biochem Biophys Res Commun; 2004 Nov; 324(2):661-6. PubMed ID: 15474478
[TBL] [Abstract][Full Text] [Related]
14. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
Chohan TA; Chen JJ; Qian HY; Pan YL; Chen JZ
Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
[TBL] [Abstract][Full Text] [Related]
15. Discovery and evaluation of dual CDK1 and CDK2 inhibitors.
Payton M; Chung G; Yakowec P; Wong A; Powers D; Xiong L; Zhang N; Leal J; Bush TL; Santora V; Askew B; Tasker A; Radinsky R; Kendall R; Coats S
Cancer Res; 2006 Apr; 66(8):4299-308. PubMed ID: 16618755
[TBL] [Abstract][Full Text] [Related]
16. Loop flexibility and solvent dynamics as determinants for the selective inhibition of cyclin-dependent kinase 4: comparative molecular dynamics simulation studies of CDK2 and CDK4.
Park H; Yeom MS; Lee S
Chembiochem; 2004 Dec; 5(12):1662-72. PubMed ID: 15505811
[TBL] [Abstract][Full Text] [Related]
17. Versatile templates for the development of novel kinase inhibitors: Discovery of novel CDK inhibitors.
Dwyer MP; Paruch K; Alvarez C; Doll RJ; Keertikar K; Duca J; Fischmann TO; Hruza A; Madison V; Lees E; Parry D; Seghezzi W; Sgambellone N; Shanahan F; Wiswell D; Guzi TJ
Bioorg Med Chem Lett; 2007 Nov; 17(22):6216-9. PubMed ID: 17904366
[TBL] [Abstract][Full Text] [Related]
18. Free-energy-based methods for binding profile determination in a congeneric series of CDK2 inhibitors.
Fidelak J; Juraszek J; Branduardi D; Bianciotto M; Gervasio FL
J Phys Chem B; 2010 Jul; 114(29):9516-24. PubMed ID: 20593892
[TBL] [Abstract][Full Text] [Related]
19. Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle.
Thomas MP; McInnes C
IDrugs; 2006 Apr; 9(4):273-8. PubMed ID: 16596481
[TBL] [Abstract][Full Text] [Related]
20. Recent advances on structure-informed drug discovery of cyclin-dependent kinase-2 inhibitors.
Duca JS
Future Med Chem; 2009 Nov; 1(8):1453-66. PubMed ID: 21426059
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]