460 related articles for article (PubMed ID: 22306417)
1. Virtual screening filters for the design of type II p38 MAP kinase inhibitors: a fragment based library generation approach.
Badrinarayan P; Sastry GN
J Mol Graph Model; 2012 Apr; 34():89-100. PubMed ID: 22306417
[TBL] [Abstract][Full Text] [Related]
2. Sequence, structure, and active site analyses of p38 MAP kinase: exploiting DFG-out conformation as a strategy to design new type II leads.
Badrinarayan P; Sastry GN
J Chem Inf Model; 2011 Jan; 51(1):115-29. PubMed ID: 21141877
[TBL] [Abstract][Full Text] [Related]
3. Identification of p38α MAP kinase inhibitors by pharmacophore based virtual screening.
Gangwal RP; Das NR; Thanki K; Damre MV; Dhoke GV; Sharma SS; Jain S; Sangamwar AT
J Mol Graph Model; 2014 Apr; 49():18-24. PubMed ID: 24473068
[TBL] [Abstract][Full Text] [Related]
4. Automatic tailoring and transplanting: a practical method that makes virtual screening more useful.
Li Y; Zhao Y; Liu Z; Wang R
J Chem Inf Model; 2011 Jun; 51(6):1474-91. PubMed ID: 21520918
[TBL] [Abstract][Full Text] [Related]
5. Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Comess KM; Sun C; Abad-Zapatero C; Goedken ER; Gum RJ; Borhani DW; Argiriadi M; Groebe DR; Jia Y; Clampit JE; Haasch DL; Smith HT; Wang S; Song D; Coen ML; Cloutier TE; Tang H; Cheng X; Quinn C; Liu B; Xin Z; Liu G; Fry EH; Stoll V; Ng TI; Banach D; Marcotte D; Burns DJ; Calderwood DJ; Hajduk PJ
ACS Chem Biol; 2011 Mar; 6(3):234-44. PubMed ID: 21090814
[TBL] [Abstract][Full Text] [Related]
6. Novel lead structures for p38 MAP kinase via FieldScreen virtual screening.
Cheeseright TJ; Holm M; Lehmann F; Luik S; Göttert M; Melville JL; Laufer S
J Med Chem; 2009 Jul; 52(14):4200-9. PubMed ID: 19489590
[TBL] [Abstract][Full Text] [Related]
7. Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.
Schneider G; Geppert T; Hartenfeller M; Reisen F; Klenner A; Reutlinger M; Hähnke V; Hiss JA; Zettl H; Keppner S; Spänkuch B; Schneider P
Future Med Chem; 2011 Mar; 3(4):415-24. PubMed ID: 21452978
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
Simard JR; Getlik M; Grütter C; Pawar V; Wulfert S; Rabiller M; Rauh D
J Am Chem Soc; 2009 Sep; 131(37):13286-96. PubMed ID: 19572644
[TBL] [Abstract][Full Text] [Related]
10. Displacement assay for the detection of stabilizers of inactive kinase conformations.
Klüter S; Grütter C; Naqvi T; Rabiller M; Simard JR; Pawar V; Getlik M; Rauh D
J Med Chem; 2010 Jan; 53(1):357-67. PubMed ID: 19928858
[TBL] [Abstract][Full Text] [Related]
11. CoMFA and docking studies on triazolopyridine oxazole derivatives as p38 MAP kinase inhibitors.
Shashi Nayana MR; Sekhar YN; Siva Kumari N; Mahmood SK; Ravikumar M
Eur J Med Chem; 2008 Jun; 43(6):1261-9. PubMed ID: 17825954
[TBL] [Abstract][Full Text] [Related]
12. Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.
Mahasenan KV; Li C
J Chem Inf Model; 2012 May; 52(5):1345-55. PubMed ID: 22540736
[TBL] [Abstract][Full Text] [Related]
13. Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Moffett K; Konteatis Z; Nguyen D; Shetty R; Ludington J; Fujimoto T; Lee KJ; Chai X; Namboodiri H; Karpusas M; Dorsey B; Guarnieri F; Bukhtiyarova M; Springman E; Michelotti E
Bioorg Med Chem Lett; 2011 Dec; 21(23):7155-65. PubMed ID: 22014550
[TBL] [Abstract][Full Text] [Related]
14. Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics.
Zhao H; Huang D; Caflisch A
ChemMedChem; 2012 Nov; 7(11):1983-90. PubMed ID: 22976951
[TBL] [Abstract][Full Text] [Related]
15. Interaction profiles of protein kinase-inhibitor complexes and their application to virtual screening.
Chuaqui C; Deng Z; Singh J
J Med Chem; 2005 Jan; 48(1):121-33. PubMed ID: 15634006
[TBL] [Abstract][Full Text] [Related]
16. Conformational analysis of the DFG-out kinase motif and biochemical profiling of structurally validated type II inhibitors.
Vijayan RS; He P; Modi V; Duong-Ly KC; Ma H; Peterson JR; Dunbrack RL; Levy RM
J Med Chem; 2015 Jan; 58(1):466-79. PubMed ID: 25478866
[TBL] [Abstract][Full Text] [Related]
17. Optimization of alpha-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site.
Montalban AG; Boman E; Chang CD; Ceide SC; Dahl R; Dalesandro D; Delaet NG; Erb E; Ernst JT; Gibbs A; Kahl J; Kessler L; Kucharski J; Lum C; Lundström J; Miller S; Nakanishi H; Roberts E; Saiah E; Sullivan R; Urban J; Wang Z; Larson CJ
Bioorg Med Chem Lett; 2010 Aug; 20(16):4819-24. PubMed ID: 20663667
[TBL] [Abstract][Full Text] [Related]
18. Protein flexibility in ligand docking and virtual screening to protein kinases.
Cavasotto CN; Abagyan RA
J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
[TBL] [Abstract][Full Text] [Related]
19. Structure-based virtual screening approach to the discovery of p38 MAP kinase inhibitors.
Choi H; Park HJ; Shin JC; Ko HS; Lee JK; Lee S; Park H; Hong S
Bioorg Med Chem Lett; 2012 Mar; 22(6):2195-9. PubMed ID: 22342625
[TBL] [Abstract][Full Text] [Related]
20. Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
Gill AL; Frederickson M; Cleasby A; Woodhead SJ; Carr MG; Woodhead AJ; Walker MT; Congreve MS; Devine LA; Tisi D; O'Reilly M; Seavers LC; Davis DJ; Curry J; Anthony R; Padova A; Murray CW; Carr RA; Jhoti H
J Med Chem; 2005 Jan; 48(2):414-26. PubMed ID: 15658855
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]