메뉴 건너뛰기




Volumn 30, Issue 16, 2014, Pages 4734-4742

Biomimetic design of platelet adhesion inhibitors to block integrin α2β1-collagen interactions: II. Inhibitor library, screening, and experimental validation

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; BINDING ENERGY; BIOMIMETICS; COLLAGEN; MOLECULAR DYNAMICS;

EID: 84899621119     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la4046012     Document Type: Article
Times cited : (24)

References (53)
  • 2
    • 4444260266 scopus 로고    scopus 로고
    • Platelet Adhesion Signalling and the Regulation of Thrombus Formation
    • Gibbins, J. M. Platelet Adhesion Signalling and the Regulation of Thrombus Formation J. Cell Sci. 2004, 117, 3415-3425
    • (2004) J. Cell Sci. , vol.117 , pp. 3415-3425
    • Gibbins, J.M.1
  • 4
  • 5
    • 84875702158 scopus 로고    scopus 로고
    • Cell-Matrix Adhesion of Podocytes in Physiology and Disease
    • Sachs, N.; Sonnenberg, A. Cell-Matrix Adhesion of Podocytes in Physiology and Disease Nat. Rev. Nephrol. 2013, 9, 200-210
    • (2013) Nat. Rev. Nephrol. , vol.9 , pp. 200-210
    • Sachs, N.1    Sonnenberg, A.2
  • 6
    • 79960649902 scopus 로고    scopus 로고
    • Platelet Adhesion and Activation Mechanisms in Arterial Thrombosis and Ischaemic Stroke
    • Nieswandt, B.; Pleines, I.; Bender, M. Platelet Adhesion and Activation Mechanisms in Arterial Thrombosis and Ischaemic Stroke J. Thromb. Haemost. 2011, 91, 92-104
    • (2011) J. Thromb. Haemost. , vol.91 , pp. 92-104
    • Nieswandt, B.1    Pleines, I.2    Bender, M.3
  • 7
    • 60349109713 scopus 로고    scopus 로고
    • Computational Evaluation of Protein-Small Molecule Binding
    • Guvench, O.; MacKerell, A. D. Computational Evaluation of Protein-Small Molecule Binding Curr. Opin. Struct. Biol. 2009, 19, 56-61
    • (2009) Curr. Opin. Struct. Biol. , vol.19 , pp. 56-61
    • Guvench, O.1    Mackerell, A.D.2
  • 8
    • 61349165523 scopus 로고    scopus 로고
    • Docking, Virtual High Throughput Screening and in Silico Fragment-Based Drug Design
    • Zoete, V.; Grosdidier, A.; Michielin, O. Docking, Virtual High Throughput Screening and in Silico Fragment-Based Drug Design J. Cell. Mol. Med. 2009, 13, 238-248
    • (2009) J. Cell. Mol. Med. , vol.13 , pp. 238-248
    • Zoete, V.1    Grosdidier, A.2    Michielin, O.3
  • 9
    • 57549106061 scopus 로고    scopus 로고
    • Peptides as Protein Binding Site Mimetics
    • Eichler, J. Peptides as Protein Binding Site Mimetics Curr. Opin. Chem. Biol. 2008, 12, 707-713
    • (2008) Curr. Opin. Chem. Biol. , vol.12 , pp. 707-713
    • Eichler, J.1
  • 10
    • 58749116840 scopus 로고    scopus 로고
    • Rational Design of Antithrombotic Peptides to Target the von Willebrand Factor (Vwf) - Gpib Integrin Interaction
    • Munoz, C. D.; Campbell, W.; Constantinescu, I.; Gyongyossy-Issa, M. Rational Design of Antithrombotic Peptides to Target the Von Willebrand Factor (Vwf)-Gpib Integrin Interaction J. Mol. Modeling 2008, 14, 1191-1202
    • (2008) J. Mol. Modeling , vol.14 , pp. 1191-1202
    • Munoz, C.D.1    Campbell, W.2    Constantinescu, I.3    Gyongyossy-Issa, M.4
  • 11
    • 84880697760 scopus 로고    scopus 로고
    • Design of Peptide Affinity Ligands for S-Protein: A Comparison of Combinatorial and De Novo Design Strategies
    • Chandra, D.; Morrison, C. J.; Woo, J.; Cramer, S.; Karande, P. Design of Peptide Affinity Ligands for S-Protein: A Comparison of Combinatorial and De Novo Design Strategies Mol. Divers. 2013, 17, 357-369
    • (2013) Mol. Divers. , vol.17 , pp. 357-369
    • Chandra, D.1    Morrison, C.J.2    Woo, J.3    Cramer, S.4    Karande, P.5
  • 12
    • 34250792823 scopus 로고    scopus 로고
    • Probing Integrin Selectivity: Rational Design of Highly Active and Selective Ligands for the Alpha 5 Beta 1 and Alpha v Beta 3 Integrin Receptor
    • Heckmann, D.; Meyer, A.; Marinelli, L.; Zahn, G.; Stragies, R.; Kessler, H. Probing Integrin Selectivity: Rational Design of Highly Active and Selective Ligands for the Alpha 5 Beta 1 and Alpha V Beta 3 Integrin Receptor Angew. Chem., Int. Ed. 2007, 46, 3571-3574
    • (2007) Angew. Chem., Int. Ed. , vol.46 , pp. 3571-3574
    • Heckmann, D.1    Meyer, A.2    Marinelli, L.3    Zahn, G.4    Stragies, R.5    Kessler, H.6
  • 13
    • 49249138843 scopus 로고    scopus 로고
    • Rational Design of Highly Active and Selective Ligands for the Alpha 5 Beta 1 Integrin Receptor
    • Heckmann, D.; Meyer, A.; Laufer, B.; Zahn, G.; Stragies, R.; Kessler, H. Rational Design of Highly Active and Selective Ligands for the Alpha 5 Beta 1 Integrin Receptor ChemBioChem 2008, 9, 1397-1407
    • (2008) ChemBioChem , vol.9 , pp. 1397-1407
    • Heckmann, D.1    Meyer, A.2    Laufer, B.3    Zahn, G.4    Stragies, R.5    Kessler, H.6
  • 14
    • 79955640841 scopus 로고    scopus 로고
    • Development of a Displacer-Immobilized Ligand Docking Scheme for Displacer Screening for Protein Displacement Chromatography
    • Zhao, G. F.; Bai, S.; Sun, Y. Development of a Displacer-Immobilized Ligand Docking Scheme for Displacer Screening for Protein Displacement Chromatography Biochem. Eng. J. 2011, 55, 32-42
    • (2011) Biochem. Eng. J. , vol.55 , pp. 32-42
    • Zhao, G.F.1    Bai, S.2    Sun, Y.3
  • 15
    • 36549064635 scopus 로고    scopus 로고
    • Rational Design of Peptide Ligand for Affinity Chromatography of Tissue-Type Plasminogen Activator by the Combination of Docking and Molecular Dynamics Simulations
    • Liu, F. F.; Dong, X. Y.; Wang, T.; Sun, Y. Rational Design of Peptide Ligand for Affinity Chromatography of Tissue-Type Plasminogen Activator by the Combination of Docking and Molecular Dynamics Simulations J. Chromatogr., A 2007, 1175, 249-258
    • (2007) J. Chromatogr., A , vol.1175 , pp. 249-258
    • Liu, F.F.1    Dong, X.Y.2    Wang, T.3    Sun, Y.4
  • 16
    • 84875863879 scopus 로고    scopus 로고
    • Discovery and Optimization of Triazine Derivatives as Rock1 Inhibitors: Molecular Docking, Molecular Dynamics Simulations and Free Energy Calculations
    • Shen, M. Y.; Zhou, S. Y.; Li, Y. Y.; Pan, P. C.; Zhang, L. L.; Hou, T. J. Discovery and Optimization of Triazine Derivatives as Rock1 Inhibitors: Molecular Docking, Molecular Dynamics Simulations and Free Energy Calculations Mol. Biosyst. 2013, 9, 361-374
    • (2013) Mol. Biosyst. , vol.9 , pp. 361-374
    • Shen, M.Y.1    Zhou, S.Y.2    Li, Y.Y.3    Pan, P.C.4    Zhang, L.L.5    Hou, T.J.6
  • 18
    • 67649124670 scopus 로고    scopus 로고
    • Docking and Scoring: Applications to Drug Discovery in the Interactomics Era
    • Grosdidier, S.; Fernandez-Recio, J. Docking and Scoring: Applications to Drug Discovery in the Interactomics Era Expert Opin. Drug Discovery 2009, 4, 673-686
    • (2009) Expert Opin. Drug Discovery , vol.4 , pp. 673-686
    • Grosdidier, S.1    Fernandez-Recio, J.2
  • 20
    • 65549168271 scopus 로고    scopus 로고
    • Docking-Based Virtual Screening: Recent Developments
    • Tuccinardi, T. Docking-Based Virtual Screening: Recent Developments Comb. Chem. High Throughput Screening 2009, 12, 303-314
    • (2009) Comb. Chem. High Throughput Screening , vol.12 , pp. 303-314
    • Tuccinardi, T.1
  • 21
    • 61349165523 scopus 로고    scopus 로고
    • Docking, Virtual High Throughput Screening and in Silico Fragment-Based Drug Design
    • Zoete, V.; Grosdidier, A.; Michielin, O. Docking, Virtual High Throughput Screening and in Silico Fragment-Based Drug Design J. Cell. Mol. Med. 2009, 13, 238-248
    • (2009) J. Cell. Mol. Med. , vol.13 , pp. 238-248
    • Zoete, V.1    Grosdidier, A.2    Michielin, O.3
  • 22
    • 34548200847 scopus 로고    scopus 로고
    • Structure-Based Drug Design: Docking and Scoring
    • Kroemer, R. T. Structure-Based Drug Design: Docking and Scoring Curr. Protein Pept. Sci. 2007, 8, 312-328
    • (2007) Curr. Protein Pept. Sci. , vol.8 , pp. 312-328
    • Kroemer, R.T.1
  • 23
    • 35348821202 scopus 로고    scopus 로고
    • Virtual Screening Strategies in Drug Discovery
    • McInnes, C. Virtual Screening Strategies in Drug Discovery Curr. Opin. Chem. Biol. 2007, 11, 494-502
    • (2007) Curr. Opin. Chem. Biol. , vol.11 , pp. 494-502
    • McInnes, C.1
  • 24
    • 3242884966 scopus 로고    scopus 로고
    • High-Throughput Docking as a Source of Novel Drug Leads
    • Alvarez, J. C. High-Throughput Docking as a Source of Novel Drug Leads Curr. Opin. Chem. Biol. 2004, 8, 365-370
    • (2004) Curr. Opin. Chem. Biol. , vol.8 , pp. 365-370
    • Alvarez, J.C.1
  • 25
    • 0036725277 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of Biomolecules
    • Karplus, M.; McCammon, J. A. Molecular Dynamics Simulations of Biomolecules Nat. Struct. Biol. 2002, 9, 646-652
    • (2002) Nat. Struct. Biol. , vol.9 , pp. 646-652
    • Karplus, M.1    McCammon, J.A.2
  • 26
    • 33646904758 scopus 로고    scopus 로고
    • Protein Folding-Simulation
    • Daggett, V. Protein Folding-Simulation Chem. Rev. 2006, 106, 1898-1916
    • (2006) Chem. Rev. , vol.106 , pp. 1898-1916
    • Daggett, V.1
  • 27
    • 84860380323 scopus 로고    scopus 로고
    • Cross-Seeding and Conformational Selection between Three- and Four-Repeat Human Tau Proteins
    • Yu, X.; Luo, Y.; Dinkel, P.; Zheng, J.; Wei, G. H.; Margittai, M.; Nussinov, R.; Ma, B. Y. Cross-Seeding and Conformational Selection Between Three- And Four-Repeat Human Tau Proteins J. Biol. Chem. 2012, 287, 14950-14959
    • (2012) J. Biol. Chem. , vol.287 , pp. 14950-14959
    • Yu, X.1    Luo, Y.2    Dinkel, P.3    Zheng, J.4    Wei, G.H.5    Margittai, M.6    Nussinov, R.7    Ma, B.Y.8
  • 28
    • 84862004181 scopus 로고    scopus 로고
    • Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-Binding Module on Cellulose
    • Nimlos, M. R.; Beckham, G. T.; Matthews, J. F.; Bu, L. T.; Himmel, M. E.; Crowley, M. F. Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-Binding Module On Cellulose J. Biol. Chem. 2012, 287, 20603-20612
    • (2012) J. Biol. Chem. , vol.287 , pp. 20603-20612
    • Nimlos, M.R.1    Beckham, G.T.2    Matthews, J.F.3    Bu, L.T.4    Himmel, M.E.5    Crowley, M.F.6
  • 29
    • 84867271852 scopus 로고    scopus 로고
    • Theoretical Investigation on the Binding Specificity of Sialyldisaccharides with Hemagglutinins of Influenza a Virus by Molecular Dynamics Simulations
    • Priyadarzini, T.; Selvin, J.; Gromiha, M. M.; Fukui, K.; Veluraja, K. Theoretical Investigation On the Binding Specificity of Sialyldisaccharides with Hemagglutinins of Influenza a Virus by Molecular Dynamics Simulations J. Biol. Chem. 2012, 287, 34547-34557
    • (2012) J. Biol. Chem. , vol.287 , pp. 34547-34557
    • Priyadarzini, T.1    Selvin, J.2    Gromiha, M.M.3    Fukui, K.4    Veluraja, K.5
  • 30
    • 84868120948 scopus 로고    scopus 로고
    • Multimolecule Test-Tube Simulations of Protein Unfolding and Aggregation
    • McCully, M. E.; Beck, D.; Daggett, V. Multimolecule Test-Tube Simulations of Protein Unfolding and Aggregation Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 17851-17856
    • (2012) Proc. Natl. Acad. Sci. U.S.A. , vol.109 , pp. 17851-17856
    • McCully, M.E.1    Beck, D.2    Daggett, V.3
  • 31
    • 84884252121 scopus 로고    scopus 로고
    • Designed Trpzip-3 B-Hairpin Inhibits Amyloid Formation in Two Different Amyloid Systems
    • Hopping, G.; Kellock, J.; Caughey, B.; Daggett, V. Designed Trpzip-3 B-Hairpin Inhibits Amyloid Formation in Two Different Amyloid Systems ACS Med. Chem. Lett. 2013, 4, 824-828
    • (2013) ACS Med. Chem. Lett. , vol.4 , pp. 824-828
    • Hopping, G.1    Kellock, J.2    Caughey, B.3    Daggett, V.4
  • 32
    • 84863011406 scopus 로고    scopus 로고
    • Molecular Insight into the Ligand-Igg Interactions for 4-Mercaptoethyl-Pyridine Based Hydrophobic Charge-Induction Chromatography
    • Lin, D. Q.; Tong, H. F.; Wang, H. Y.; Yao, S. J. Molecular Insight Into the Ligand-Igg Interactions for 4-Mercaptoethyl-Pyridine Based Hydrophobic Charge-Induction Chromatography J. Phys. Chem. B 2012, 116, 1393-1400
    • (2012) J. Phys. Chem. B , vol.116 , pp. 1393-1400
    • Lin, D.Q.1    Tong, H.F.2    Wang, H.Y.3    Yao, S.J.4
  • 34
    • 0034737296 scopus 로고    scopus 로고
    • Structural Basis of Collagen Recognition by Integrin Alpha 2 Beta 1
    • Emsley, J.; Knight, C. G.; Farndale, R. W.; Barnes, M. J.; Liddington, R. C. Structural Basis of Collagen Recognition by Integrin Alpha 2 Beta 1 Cell 2000, 101, 47-56
    • (2000) Cell , vol.101 , pp. 47-56
    • Emsley, J.1    Knight, C.G.2    Farndale, R.W.3    Barnes, M.J.4    Liddington, R.C.5
  • 35
    • 0033397980 scopus 로고    scopus 로고
    • Python: A Programming Language for Software Integration and Development
    • Sanner, M. F. Python: A Programming Language for Software Integration and Development J. Mol. Graph. Modeling 1999, 17, 57-61
    • (1999) J. Mol. Graph. Modeling , vol.17 , pp. 57-61
    • Sanner, M.F.1
  • 36
    • 76149120388 scopus 로고    scopus 로고
    • Software News and Update Autodock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
    • Trott, O.; Olson, A. J. Software News and Update Autodock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading J. Comput. Chem. 2010, 31, 455-461
    • (2010) J. Comput. Chem. , vol.31 , pp. 455-461
    • Trott, O.1    Olson, A.J.2
  • 37
    • 0029633168 scopus 로고
    • Gromacs - A Message-Passing Parallel Molecular-Dynamics Implementation
    • Berendsen, H. J.; Vanderspoel, D.; Vandrunen, R. Gromacs-A Message-Passing Parallel Molecular-Dynamics Implementation Comput. Phys. Commun. 1995, 91, 43-56
    • (1995) Comput. Phys. Commun. , vol.91 , pp. 43-56
    • Berendsen, H.J.1    Vanderspoel, D.2    Vandrunen, R.3
  • 38
    • 0035789518 scopus 로고    scopus 로고
    • Gromacs 3.0: A Package for Molecular Simulation and Trajectory Analysis
    • Lindahl, E.; Hess, B.; van, S. D. Gromacs 3.0: A Package for Molecular Simulation and Trajectory Analysis J. Mol. Modeling 2001, 7, 306-317
    • (2001) J. Mol. Modeling , vol.7 , pp. 306-317
    • Lindahl, E.1    Hess, B.2    Van, S.D.3
  • 39
    • 77953573815 scopus 로고    scopus 로고
    • Sub-Angstrom Modeling of Complexes between Flexible Peptides and Globular Proteins
    • Raveh, B.; London, N.; Schueler-Furman, O. Sub-Angstrom Modeling of Complexes Between Flexible Peptides and Globular Proteins Proteins 2010, 78, 2029-2040
    • (2010) Proteins , vol.78 , pp. 2029-2040
    • Raveh, B.1    London, N.2    Schueler-Furman, O.3
  • 40
    • 50649095790 scopus 로고    scopus 로고
    • Macromolecular Modeling with Rosetta
    • Das, R.; Baker, D. Macromolecular Modeling with Rosetta Annu. Rev. Biochem. 2008, 77, 363-382
    • (2008) Annu. Rev. Biochem. , vol.77 , pp. 363-382
    • Das, R.1    Baker, D.2
  • 44
    • 33846823909 scopus 로고
    • Particle Mesh Ewald: An N · Log(N) Method for Ewald Sums in Large Systems
    • Darden, T.; York, D.; Pedersen, L. Particle Mesh Ewald: An N · Log(N) Method for Ewald Sums in Large Systems J. Chem. Phys. 1993, 98, 10089-10092
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 47
    • 78651139188 scopus 로고
    • The Aggregation of Blood Platelets
    • Born, G. V. R.; Cross, M. J. The Aggregation of Blood Platelets J. Physiol. 1963, 168, 178-195
    • (1963) J. Physiol. , vol.168 , pp. 178-195
    • Born, G.V.R.1    Cross, M.J.2
  • 48
    • 47749137426 scopus 로고    scopus 로고
    • Competitive Interactions of Collagen and a Jararhagin-Derived Disintegrin Peptide with the Integrin Alpha 2-I Domain
    • Lambert, L. J.; Bobkov, A. A.; Smith, J. W.; Marassi, F. M. Competitive Interactions of Collagen and a Jararhagin-Derived Disintegrin Peptide with the Integrin Alpha 2-I Domain J. Biol. Chem. 2008, 283, 16665-16672
    • (2008) J. Biol. Chem. , vol.283 , pp. 16665-16672
    • Lambert, L.J.1    Bobkov, A.A.2    Smith, J.W.3    Marassi, F.M.4
  • 49
    • 84885333791 scopus 로고    scopus 로고
    • Structural Insight on the Recognition of Surface-Bound Opsonins by the Integrin i Domain of Complement Receptor 3
    • Bajic, G.; Yatime, L.; Sim, R. B.; Vorup-Jensen, T.; Andersen, G. R. Structural Insight On the Recognition of Surface-Bound Opsonins by the Integrin I Domain of Complement Receptor 3 Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 16426-16431
    • (2013) Proc. Natl. Acad. Sci. U.S.A. , vol.110 , pp. 16426-16431
    • Bajic, G.1    Yatime, L.2    Sim, R.B.3    Vorup-Jensen, T.4    Andersen, G.R.5
  • 50
  • 51
    • 0032720338 scopus 로고    scopus 로고
    • Isothermal Titration Calorimetry of Protein-Protein Interactions
    • Pierce, M. M.; Raman, C. S.; Nall, B. T. Isothermal Titration Calorimetry of Protein-Protein Interactions Methods 1999, 19, 213-221
    • (1999) Methods , vol.19 , pp. 213-221
    • Pierce, M.M.1    Raman, C.S.2    Nall, B.T.3
  • 52
    • 0019889063 scopus 로고
    • Thermodynamics of Protein Association Reactions: Forces Contributing to Stability
    • Ross, P. D.; Subramanian, S. Thermodynamics of Protein Association Reactions: Forces Contributing to Stability Biochemistry 1981, 20, 3096-3102
    • (1981) Biochemistry , vol.20 , pp. 3096-3102
    • Ross, P.D.1    Subramanian, S.2
  • 53
    • 77956307401 scopus 로고    scopus 로고
    • Thermodynamic Analysis of the Molecular Interactions between Amyloid Beta-Peptide 42 and (-)-Epigallocatechin-3-Gallate
    • Wang, S. H.; Liu, F. F.; Dong, X. Y.; Sun, Y. Thermodynamic Analysis of the Molecular Interactions Between Amyloid Beta-Peptide 42 and (-)-Epigallocatechin-3-Gallate J. Phys. Chem. B 2010, 114, 11576-11583
    • (2010) J. Phys. Chem. B , vol.114 , pp. 11576-11583
    • Wang, S.H.1    Liu, F.F.2    Dong, X.Y.3    Sun, Y.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.