Structure-Based Drug Design of Diphenyl α-Aminoalkylphosphonates as Prostate-Specific Antigen Antagonists
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Vishal Shah | Hai-Feng Ji | Arben Kojtari | Jacob S. Babinec | Catherine Yang | H. Ji | Catherine Yang | Arben Kojtari | J. Babinec | V. Shah
[1] Georgiana Surpateanu,et al. Diphenyl phosphonate inhibitors for the urokinase-type plasminogen activator: optimization of the P4 position. , 2006, Journal of medicinal chemistry.
[2] T. Thompson,et al. Prostate cancer progression after androgen deprivation therapy: mechanisms of castrate resistance and novel therapeutic approaches , 2013, Oncogene.
[3] J. Oleksyszyn,et al. Diphenyl 1-Aminoalkanephosphonates , 1979 .
[4] M. Sieńczyk,et al. Inhibition of trypsin and urokinase by Cbz-amino(4-guanidinophenyl)methanephosphonate aromatic ester derivatives: the influence of the ester group on their biological activity. , 2006, Bioorganic & medicinal chemistry letters.
[5] F. L. Suddath,et al. Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models. , 1996, Biochemistry.
[6] E. Kawinski,et al. Mitogenic response of osteoblast cells to prostate-specific antigen suggests an activation of latent TGF-beta and a proteolytic modulation of cell adhesion receptors. , 1993, Biochemical and biophysical research communications.
[7] Thomas Lectka,et al. Mechanistic insights into the inhibition of prostate specific antigen by β‐lactam class compounds , 2007, Proteins.
[8] L. Verlet. Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .
[9] Freddie C Hamdy,et al. Use of prostate-specific antigen (PSA) isoforms for the detection of prostate cancer in men with a PSA level of 2-10 ng/ml: systematic review and meta-analysis. , 2005, European urology.
[10] P. Kollman,et al. Automatic atom type and bond type perception in molecular mechanical calculations. , 2006, Journal of molecular graphics & modelling.
[11] M I KABACHNIK,et al. [New method of synthesis of alpha-aminoalkylphosphinic acids]. , 1953, Izvestiia Akademii nauk SSSR, Otdelenie khimicheskikh nauk.
[12] Jenny Donovan,et al. Circulating insulin-like growth factors and IGF-binding proteins in PSA-detected prostate cancer: the large case-control study ProtecT. , 2012, Cancer research.
[13] K Schulten,et al. VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.
[14] E. Diamandis,et al. Prostate-specific Antigen: Its Usefulness in Clinical Medicine , 1998, Trends in Endocrinology & Metabolism.
[15] Genichiro Ishii,et al. Prostate-specific antigen enhances bioavailability of insulin-like growth factor by degrading insulin-like growth factor binding protein 5. , 2009, Biochemical and biophysical research communications.
[16] J. Oleksyszyn,et al. An improved synthesis of 1-aminophosphonic acids , 1977 .
[17] J. Powers,et al. Novel amidine-containing peptidyl phosphonates as irreversible inhibitors for blood coagulation and related serine proteases. , 1994, Journal of medicinal chemistry.
[18] Frédéric Ducancel,et al. Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody. , 2008, Journal of molecular biology.
[19] A. LeBeau,et al. Potent and selective peptidyl boronic acid inhibitors of the serine protease prostate-specific antigen. , 2008, Chemistry & biology.
[20] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[21] Bruce Montgomery,et al. Androgen deprivation therapy: progress in understanding mechanisms of resistance and optimizing androgen depletion , 2009, Nature Clinical Practice Urology.
[22] David S. Goodsell,et al. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility , 2009, J. Comput. Chem..
[23] T. Šolmajer,et al. Binding free energy calculations of N-sulphonyl-glutamic acid inhibitors of MurD ligase , 2009, Journal of molecular modeling.
[24] J. Oleksyszyn,et al. 1-N-Alkylaminoalkanephosphonic and 1-N-Alkylaminoalkylphenylphosphinic Acids , 1980 .
[25] G. Coetzee,et al. Prostate specific antigen gene regulation by androgen receptor , 2004, Journal of cellular biochemistry.
[26] Asit K Chakraborti,et al. An extremely efficient three-component reaction of aldehydes/ketones, amines, and phosphites (Kabachnik-Fields reaction) for the synthesis of alpha-aminophosphonates catalyzed by magnesium perchlorate. , 2007, The Journal of organic chemistry.
[27] Ellis K. Fields,et al. The Synthesis of Esters of Substituted Amino Phosphonic Acids1a , 1952 .
[28] T Moreau,et al. Homology modelling of rat kallikrein rK9, a member of the tissue kallikrein family: implications for substrate specificity and inhibitor binding. , 1996, Protein engineering.
[29] John D. Roberts,et al. Nuclear magnetic resonance spectroscopy. Spin-spin coupling of carbon to phosphorus, mercury, nitrogen, and other elements , 1973 .
[30] M. Parrinello,et al. Canonical sampling through velocity rescaling. , 2007, The Journal of chemical physics.
[31] H. Lilja,et al. Seminal vesicle-secreted proteins and their reactions during gelation and liquefaction of human semen. , 1987, The Journal of clinical investigation.
[32] Barry S. Cooperman,et al. Proteolytic Inhibition in Regulating the Insulin-Like Growth Factor-Binding Proteins in Prostate Cancer , 2012 .
[33] Carsten Schultz,et al. Imaging probes--Introduction. , 2011, Bioorganic & medicinal chemistry.
[34] Józef Oleksyszyn,et al. Inhibition of trypsin and urokinase by Cbz-amino(4-guanidinophenyl)methanephosphonate aromatic ester derivatives: the influence of the ester group on their biological activity. , 2006, Bioorganic & medicinal chemistry letters.
[35] Graham Richards,et al. Intermolecular forces , 1978, Nature.
[36] J. Oleksyszyn,et al. Aminomethanephosphonic Acid and its Diphenyl Ester , 1980 .
[37] Peter M. Kasson,et al. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit , 2013, Bioinform..
[38] Shuo Zhou,et al. CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints , 2013, J. Comput. Chem..
[39] B. Cooperman,et al. Design of synthetic hexapeptide substrates for prostate-specific antigen using single-position minilibraries. , 1999, The journal of peptide research : official journal of the American Peptide Society.
[40] U Winkler,et al. Synthesis and evaluation of diphenyl phosphonate esters as inhibitors of the trypsin-like granzymes A and K and mast cell tryptase. , 1998, Journal of medicinal chemistry.
[41] Junmei Wang,et al. Development and testing of a general amber force field , 2004, J. Comput. Chem..
[42] M. Parrinello,et al. Polymorphic transitions in single crystals: A new molecular dynamics method , 1981 .
[43] T. Darden,et al. Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .
[44] Patrick Duchstein,et al. Nucleation Mechanisms of a Polymorphic Molecular Crystal: Solvent-Dependent Structural Evolution of Benzamide Aggregates , 2014 .
[45] Wim F Vranken,et al. ACPYPE - AnteChamber PYthon Parser interfacE , 2012, BMC Research Notes.
[46] 福井 巌,et al. PSA(prostate specific antigen)と前立腺癌〔含 交見〕 , 1999 .
[47] V. Hornak,et al. Comparison of multiple Amber force fields and development of improved protein backbone parameters , 2006, Proteins.
[48] David S. Goodsell,et al. A semiempirical free energy force field with charge‐based desolvation , 2007, J. Comput. Chem..
[49] Julita Kulbacka,et al. Phosphonic pseudopeptides as human neutrophil elastase inhibitors--a combinatorial approach. , 2011, Bioorganic & medicinal chemistry.
[50] David S. Goodsell,et al. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function , 1998, J. Comput. Chem..