Privileged molecules for protein binding identified from NMR-based screening

Journal of Medicinal Chemistry

Volumn 43, Issue 18, 2000, Pages 3443-3447

  Hajduk, P J ^a   Bures, M ^a   Praestgaard, J ^a   Fesik, S W ^a  

^a ABBOTT LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIPHENYL DERIVATIVE;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; PROTEIN TARGETING; STATISTICAL ANALYSIS;

BIPHENYL COMPOUNDS; DATABASES, FACTUAL; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0034618541     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000164q     Document Type: Article

References (30)

1. Articificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules
2. The properties of known drugs. 1. Molecular frameworks
3. RECAP - Retrosynthetic combinatorial analysis procedure: A powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry
4. Discovering high-affinity ligands for proteins: SAR by NMR
5. Diffusion-edited NMR -affinity NMR for direct observation of molecular interactions
6. One-dimensional relaxation- and diffusion-edited NMR methods for screening compounds that bind to macromolecules
7. Screening mixtures for biological activity by NMR
8. NOE pumping: A novel NMR technique for identification of compounds with binding affinity to macromolecules
9. Characterization of ligand binding by saturation transfer difference NMR spectroscopy
10. Discovery of potent nonpeptide inhibitors of stromelysin using SAR by NMR
11. NMR-Based discovery of lead inhibitors that block DNA binding of the human papillomavirus E2 protein
12. Novel inhibitors of erm methyltransferases from NMR and parallel synthesis
13. NMR-Based discovery of phosphotyrosine mimetics that bind to The Lck SH2 domain
14. 15N backbone assignment and secondary structure of the receptor binding domain of vascular endothelial growth factor
15. π-Stacking interactions. Alive and well in proteins
16. Molecular dynamics simulations of peptides from BPTI: A closer look at amide-aromatic interactions
17. Ab initio studies of aromatic - Aromatic and aromatic-polar interactions in the binding of substrate and inhibitor to dihydrofolate reductase
18. Cation-π Interactions in aromatics of biological and medicinal interest: Electrostatic potential surfaces as a useful qualitative guide
19. Cation-π bonding and amino-aromatic interactions in the biomolecular recognition of substituted ammonium ligands
20. The design and synthesis of substituted biphenyl libraries
21. Unusual rel-like architecture in the Dna-binding domain of the transcription factor NFATc
22. Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylatiem dependent
23. Structure of Bcl-X(L)-Bak peptide complex - Recognition between regulators of apoptosis
24. NMR solution structure of human Protein Bcl-2, an inhibitor of programmed cell death
25. Crystal structure of human protein tyrosine phosphatase 1B
26. Pure absorption gradient enhanced heteronuclear single quantum correlation spectroscopy with improved sensitivity