Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase

Journal of Medicinal Chemistry

Volumn 44, Issue 9, 2001, Pages 1349-1355

  Enyedy, I J ^a   Lee, S L ^a   Kuo, A H ^a   Dickson, R B ^a   Lin, C Y ^a   Wang, S ^a  

^a GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZAMIDINE DERIVATIVE; HEXAMIDINE; MATRIPTASE; SERINE PROTEINASE; SERINE PROTEINASE INHIBITOR; THROMBIN; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; DRUG STRUCTURE; ENZYME ACTIVITY; ENZYME INHIBITION; HUMAN; MOLECULAR MODEL; STRUCTURE ACTIVITY RELATION;

BENZAMIDINES; BINDING SITES; DATABASES, FACTUAL; KINETICS; MODELS, MOLECULAR; PROTEIN BINDING; SERINE ENDOPEPTIDASES; SERINE PROTEINASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP; THROMBIN; TRYPSIN;

EID: 0035953310     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000395x     Document Type: Article

References (29)

1. Biology and biochemistry of proteinases in tumor invasion
2. Regulation of matrix metalloproteinase expression in tumor invasion
3. Roles of the matrix metalloproteinases in mammary gland development and cancer
4. Role of proteases in breast cancer
5. Cellular localization of membrane-type serine protease 1 and identification of protease-activated receptor-2 and single-chain urokinase-type plasminogen activator as substrates
6. Molecular recognition of protein-ligand complexes: Applications to drug design
7. Protease inhibitors: Current status and future prospects
8. Structure-based design and synthesis of a potent matrix metalloproteinase-13 inhibitor based on a pyrrolidinone scaffold
9. Characterization of a novel, membrane-bound, 80-kda matrix-degrading protease from human breast cancer cells. Monoclonal antibody production, isolation, and localization
10. Molecular cloning of cDNA for matriptase, a matrix-degrading serine protease with trypsin-like activity
11. Purification and characterization of a complex containing matriptase and a kunitz-type serine protease inhibitor from human milk
12. Activation of hepatocyte growth factor and urokinase/plasminogen activator by matriptase, an epithelial membrane serine protease
13. Reverse biochemistry: Use of macromolecular protease inhibitors to dissect complex biological processes and identify a membrance-type serine protease in epithelial cancer and normal tissue
14. The protein data bank: A computer-based archival file for macromolecular structures
15. Searching the protein structure databank with weak sequence patterns and structural constraints
16. Evaluation of comparative protein modeling by MODELLER
17. Modeling mutations and homologous proteins
18. The NCI Drug Information System 3D Database
19. The three-dimensional structure of proteins
20. Automated flexible ligand docking method and its application for database search
21. Molecular docking to ensembles of protein structures
22. Application of a molecular dynamics simulation method with a generalized effective potential to the flexible molecular docking problems
23. Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogues
24. Gapped BLAST and PSI-BLAST: A new generation of protein database search programs
25. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
26. Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison
27. Validation of the general purpose QUANTA 3.2/CHARMm force field
28. A fast and efficient method for 2D and 3D molecular shape description
29. Solvent-induced forces between two hydrophilic groups