349 related articles for article (PubMed ID: 18096419)
1. Molecular docking/dynamics studies of Aurora A kinase inhibitors.
Talele TT; McLaughlin ML
J Mol Graph Model; 2008 Jun; 26(8):1213-22. PubMed ID: 18096419
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
Hou T; Zhu L; Chen L; Xu X
J Chem Inf Comput Sci; 2003; 43(1):273-87. PubMed ID: 12546563
[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. Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor.
Coumar MS; Tsai MT; Chu CY; Uang BJ; Lin WH; Chang CY; Chang TY; Leou JS; Teng CH; Wu JS; Fang MY; Chen CH; Hsu JT; Wu SY; Chao YS; Hsieh HP
ChemMedChem; 2010 Feb; 5(2):255-67. PubMed ID: 20039358
[TBL] [Abstract][Full Text] [Related]
6. Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity.
Coumar MS; Leou JS; Shukla P; Wu JS; Dixit AK; Lin WH; Chang CY; Lien TW; Tan UK; Chen CH; Hsu JT; Chao YS; Wu SY; Hsieh HP
J Med Chem; 2009 Feb; 52(4):1050-62. PubMed ID: 19140666
[TBL] [Abstract][Full Text] [Related]
7. 2,5-Diaminopyrimidines and 3,5-disubstituted azapurines as inhibitors of glycogen synthase kinase-3 (GSK-3).
Lum C; Kahl J; Kessler L; Kucharski J; Lundström J; Miller S; Nakanishi H; Pei Y; Pryor K; Roberts E; Sebo L; Sullivan R; Urban J; Wang Z
Bioorg Med Chem Lett; 2008 Jun; 18(12):3578-81. PubMed ID: 18502127
[TBL] [Abstract][Full Text] [Related]
8. Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Tari LW; Hoffman ID; Bensen DC; Hunter MJ; Nix J; Nelson KJ; McRee DE; Swanson RV
Bioorg Med Chem Lett; 2007 Feb; 17(3):688-91. PubMed ID: 17157005
[TBL] [Abstract][Full Text] [Related]
9. A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
Aliagas-Martin I; Burdick D; Corson L; Dotson J; Drummond J; Fields C; Huang OW; Hunsaker T; Kleinheinz T; Krueger E; Liang J; Moffat J; Phillips G; Pulk R; Rawson TE; Ultsch M; Walker L; Wiesmann C; Zhang B; Zhu BY; Cochran AG
J Med Chem; 2009 May; 52(10):3300-7. PubMed ID: 19402633
[TBL] [Abstract][Full Text] [Related]
10. Design and synthesis of 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and pyrazolo[3,4-b]pyridines for Aurora-A kinase inhibitors.
Shi J; Xu G; Zhu W; Ye H; Yang S; Luo Y; Han J; Yang J; Li R; Wei Y; Chen L
Bioorg Med Chem Lett; 2010 Jul; 20(14):4273-8. PubMed ID: 20621733
[TBL] [Abstract][Full Text] [Related]
11. Discovery of potent and selective thienopyrimidine inhibitors of Aurora kinases.
McClellan WJ; Dai Y; Abad-Zapatero C; Albert DH; Bouska JJ; Glaser KB; Magoc TJ; Marcotte PA; Osterling DJ; Stewart KD; Davidsen SK; Michaelides MR
Bioorg Med Chem Lett; 2011 Sep; 21(18):5620-4. PubMed ID: 21778056
[TBL] [Abstract][Full Text] [Related]
12. An integrated computational approach to the phenomenon of potent and selective inhibition of aurora kinases B and C by a series of 7-substituted indirubins.
Myrianthopoulos V; Magiatis P; Ferandin Y; Skaltsounis AL; Meijer L; Mikros E
J Med Chem; 2007 Aug; 50(17):4027-37. PubMed ID: 17665890
[TBL] [Abstract][Full Text] [Related]
13. Computational study on the interaction of N1 substituted pyrazole derivatives with B-raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the entrance of the active site.
Alzate-Morales JH; Vergara-Jaque A; Caballero J
J Chem Inf Model; 2010 Jun; 50(6):1101-12. PubMed ID: 20524689
[TBL] [Abstract][Full Text] [Related]
14. A specific pharmacophore model of Aurora B kinase inhibitors and virtual screening studies based on it.
Wang HY; Li LL; Cao ZX; Luo SD; Wei YQ; Yang SY
Chem Biol Drug Des; 2009 Jan; 73(1):115-26. PubMed ID: 19152640
[TBL] [Abstract][Full Text] [Related]
15. Crystal structure of an Aurora-A mutant that mimics Aurora-B bound to MLN8054: insights into selectivity and drug design.
Dodson CA; Kosmopoulou M; Richards MW; Atrash B; Bavetsias V; Blagg J; Bayliss R
Biochem J; 2010 Mar; 427(1):19-28. PubMed ID: 20067443
[TBL] [Abstract][Full Text] [Related]
16. Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics, QM/MM, and fragment-based de novo design: study of binding mode of diastereomer compounds.
Caballero J; Alzate-Morales JH; Vergara-Jaque A
J Chem Inf Model; 2011 Nov; 51(11):2920-31. PubMed ID: 22011048
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Discovery of selective aminothiazole aurora kinase inhibitors.
Andersen CB; Wan Y; Chang JW; Riggs B; Lee C; Liu Y; Sessa F; Villa F; Kwiatkowski N; Suzuki M; Nallan L; Heald R; Musacchio A; Gray NS
ACS Chem Biol; 2008 Mar; 3(3):180-92. PubMed ID: 18307303
[TBL] [Abstract][Full Text] [Related]
19. Computational sampling of a cryptic drug binding site in a protein receptor: explicit solvent molecular dynamics and inhibitor docking to p38 MAP kinase.
Frembgen-Kesner T; Elcock AH
J Mol Biol; 2006 May; 359(1):202-14. PubMed ID: 16616932
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics and free energy studies on Aurora kinase A and its mutant bound with MLN8054: insight into molecular mechanism of subtype selectivity.
Yang Y; Shen Y; Li S; Jin N; Liu H; Yao X
Mol Biosyst; 2012 Nov; 8(11):3049-60. PubMed ID: 22990663
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]