Evaluation of proposed modes of binding of (2S)-2-[4-[[(3S)-1-acetimidoyl-3-pyrrolidinyl]oxy]phenyl]-3-(7-amidino-2-naphthyl)propanoic acid hydrochloride and some analogs to Factor Xa using a comparative molecular field analysis
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[1] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1977, Journal of molecular biology.
[2] A Tropsha,et al. Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors. , 1996, Journal of medicinal chemistry.
[3] J. Greer. Comparative model-building of the mammalian serine proteases. , 1981, Journal of molecular biology.
[4] R. Huber,et al. Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin , 1995, FEBS letters.
[5] Owen Johnson,et al. The development of versions 3 and 4 of the Cambridge Structural Database System , 1991, J. Chem. Inf. Comput. Sci..
[6] Gerd Folkers,et al. Molecular Modeling, Basic Principles and Applications , 1996 .
[7] S. Kunitada,et al. Molecular model of an interaction between factor Xa and DX-9065a, a novel factor Xa inhibitor: Contribution of the acetimidoylpyrrolidine moiety of the inhibitor to potency and selectivity for serine proteases , 1995 .
[8] S. Katakura,et al. A novel factor Xa inhibitor: structure-activity relationships and selectivity between factor Xa and thrombin. , 1993, Biochemical and biophysical research communications.
[9] R. Cramer,et al. Validation of the general purpose tripos 5.2 force field , 1989 .
[10] R. Cramer,et al. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. , 1988, Journal of the American Chemical Society.
[11] W. Bode,et al. Coagulation factors and their inhibitors. , 1994, Current opinion in structural biology.
[12] S. Katakura,et al. Dibasic (amidinoaryl)propanoic acid derivatives as novel blood coagulation factor Xa inhibitors. , 1994, Journal of medicinal chemistry.
[13] R. Huber,et al. Structure of human des(1-45) factor Xa at 2.2 A resolution. , 1993, Journal of molecular biology.
[14] J Greer,et al. Model of a specific interaction. Salt-bridges form between prothrombin and its activating enzyme blood clotting factor Xa. , 1981, Journal of molecular biology.
[15] U. Singh,et al. A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS , 1984 .
[16] Garland R. Marshall,et al. Systematic search in conformational analysis , 1996 .
[17] I. Kuntz,et al. Structure-Based Molecular Design , 1994 .
[18] G D Diana,et al. CoMFA analysis of the interactions of antipicornavirus compounds in the binding pocket of human rhinovirus-14. , 1992, Journal of medicinal chemistry.
[19] Robert P. Sheridan,et al. FLOG: A system to select ‘quasi-flexible’ ligands complementary to a receptor of known three-dimensional structure , 1994, J. Comput. Aided Mol. Des..
[20] Robert Huber,et al. X-ray Structure of Active Site-inhibited Clotting Factor Xa , 1996, The Journal of Biological Chemistry.
[21] A. Cardin,et al. Amino acid sequence of ghilanten: anticoagulant-antimetastatic principle of the South American leech, Haementeria ghilianii. , 1990, Biochemical and biophysical research communications.
[22] Tudor I. Oprea,et al. Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules. , 1993, Journal of medicinal chemistry.
[23] B. Furie,et al. The molecular basis of blood coagulation , 1988, Cell.