330 related articles for article (PubMed ID: 19533374)
1. The multiple roles of computational chemistry in fragment-based drug design.
Law R; Barker O; Barker JJ; Hesterkamp T; Godemann R; Andersen O; Fryatt T; Courtney S; Hallett D; Whittaker M
J Comput Aided Mol Des; 2009 Aug; 23(8):459-73. PubMed ID: 19533374
[TBL] [Abstract][Full Text] [Related]
2. Experiences in fragment-based drug discovery.
Murray CW; Verdonk ML; Rees DC
Trends Pharmacol Sci; 2012 May; 33(5):224-32. PubMed ID: 22459076
[TBL] [Abstract][Full Text] [Related]
3. Combining NMR and X-ray crystallography in fragment-based drug discovery: discovery of highly potent and selective BACE-1 inhibitors.
Wyss DF; Wang YS; Eaton HL; Strickland C; Voigt JH; Zhu Z; Stamford AW
Top Curr Chem; 2012; 317():83-114. PubMed ID: 21647837
[TBL] [Abstract][Full Text] [Related]
4. Effective progression of nuclear magnetic resonance-detected fragment hits.
Eaton HL; Wyss DF
Methods Enzymol; 2011; 493():447-68. PubMed ID: 21371601
[TBL] [Abstract][Full Text] [Related]
5. In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.
Hoffer L; Renaud JP; Horvath D
J Chem Inf Model; 2013 Apr; 53(4):836-51. PubMed ID: 23537132
[TBL] [Abstract][Full Text] [Related]
6. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Wollenhaupt J; Metz A; Barthel T; Lima GMA; Heine A; Mueller U; Klebe G; Weiss MS
Structure; 2020 Jun; 28(6):694-706.e5. PubMed ID: 32413289
[TBL] [Abstract][Full Text] [Related]
7. Tyramine fragment binding to BACE-1.
Kuglstatter A; Stahl M; Peters JU; Huber W; Stihle M; Schlatter D; Benz J; Ruf A; Roth D; Enderle T; Hennig M
Bioorg Med Chem Lett; 2008 Feb; 18(4):1304-7. PubMed ID: 18226904
[TBL] [Abstract][Full Text] [Related]
8. Discovery of a novel warhead against beta-secretase through fragment-based lead generation.
Geschwindner S; Olsson LL; Albert JS; Deinum J; Edwards PD; de Beer T; Folmer RH
J Med Chem; 2007 Nov; 50(24):5903-11. PubMed ID: 17985861
[TBL] [Abstract][Full Text] [Related]
9. Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors.
Wang YS; Strickland C; Voigt JH; Kennedy ME; Beyer BM; Senior MM; Smith EM; Nechuta TL; Madison VS; Czarniecki M; McKittrick BA; Stamford AW; Parker EM; Hunter JC; Greenlee WJ; Wyss DF
J Med Chem; 2010 Feb; 53(3):942-50. PubMed ID: 20043700
[TBL] [Abstract][Full Text] [Related]
10. Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90.
Riccardi Sirtori F; Caronni D; Colombo M; Dalvit C; Paolucci M; Regazzoni L; Visco C; Fogliatto G
Eur J Pharm Sci; 2015 Aug; 76():83-94. PubMed ID: 25952103
[TBL] [Abstract][Full Text] [Related]
11. Screening and Elucidation of Selected Natural Compounds for Anti- Alzheimer's Potential Targeting BACE-1 Enzyme: A Case Computational Study.
Ahmad SS; Akhtar S; Danish Rizvi SM; Kamal MA; Sayeed U; Khan MKA; Siddiqui MH; Arif JM
Curr Comput Aided Drug Des; 2017 Nov; 13(4):311-318. PubMed ID: 28413992
[TBL] [Abstract][Full Text] [Related]
12. Extensive consensus docking evaluation for ligand pose prediction and virtual screening studies.
Tuccinardi T; Poli G; Romboli V; Giordano A; Martinelli A
J Chem Inf Model; 2014 Oct; 54(10):2980-6. PubMed ID: 25211541
[TBL] [Abstract][Full Text] [Related]
13. Design of compound libraries for fragment screening.
Blomberg N; Cosgrove DA; Kenny PW; Kolmodin K
J Comput Aided Mol Des; 2009 Aug; 23(8):513-25. PubMed ID: 19283339
[TBL] [Abstract][Full Text] [Related]
14. Inhibitors of BACE for treating Alzheimer's disease: a fragment-based drug discovery story.
Stamford A; Strickland C
Curr Opin Chem Biol; 2013 Jun; 17(3):320-8. PubMed ID: 23683349
[TBL] [Abstract][Full Text] [Related]
15. Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology.
Neumann L; Ritscher A; Müller G; Hafenbradl D
J Comput Aided Mol Des; 2009 Aug; 23(8):501-11. PubMed ID: 19533372
[TBL] [Abstract][Full Text] [Related]
16. Counting on Fragment Based Drug Design Approach for Drug Discovery.
Kashyap A; Singh PK; Silakari O
Curr Top Med Chem; 2018; 18(27):2284-2293. PubMed ID: 30499406
[TBL] [Abstract][Full Text] [Related]
17. Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
Congreve M; Aharony D; Albert J; Callaghan O; Campbell J; Carr RA; Chessari G; Cowan S; Edwards PD; Frederickson M; McMenamin R; Murray CW; Patel S; Wallis N
J Med Chem; 2007 Mar; 50(6):1124-32. PubMed ID: 17315857
[TBL] [Abstract][Full Text] [Related]
18. The 3F Library: Fluorinated Fsp
Troelsen NS; Shanina E; Gonzalez-Romero D; Danková D; Jensen ISA; Śniady KJ; Nami F; Zhang H; Rademacher C; Cuenda A; Gotfredsen CH; Clausen MH
Angew Chem Int Ed Engl; 2020 Feb; 59(6):2204-2210. PubMed ID: 31724281
[TBL] [Abstract][Full Text] [Related]
19. In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery.
Yamaotsu N; Hirono S
J Comput Aided Mol Des; 2018 Nov; 32(11):1229-1245. PubMed ID: 30196523
[TBL] [Abstract][Full Text] [Related]
20. Protein X-ray Crystallography and Drug Discovery.
Maveyraud L; Mourey L
Molecules; 2020 Feb; 25(5):. PubMed ID: 32106588
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]