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Publications
 
please from year 2009 see the web page of our new lab
Cover pages from our lab.

1994   1995   1996   1997   1998   1999   2000   2001   2002
2003   2004   2005   2006   2007   2008   2009, 2010...
Reviews

1994    Go to PubMed
1) Analysis of protein S C4b-binding protein interactions by homology modeling and inhibitory antibodies. Biochemistry, 33: 11073-11078 (1994). Fernandez JA, Villoutreix BO, Hackeng TM, Griffin JH, Bouma BN.

2) Structural basis for type I and type II deficiencies of antithrombotic plasma protein C : patterns revealed by three-dimensional molecular modeling of mutations of the protease domain. Proteins: Structure, Function & Genetics, 18: 367-380 (1994). (cover page). Greengard JS, Fisher CL, Villoutreix BO, Griffin JH.

3) Structural modeling and electrostatic properties of Aspartate Transcarbamylase from Saccharomyces cerevisiae. Proteins: Structure, Function & Genetics, 19: 230-243 (1994). (cover page). Villoutreix BO, Spassov VZ, Atanasov BP, Herve G, Ladjimi MM.

4) A structural model for the prostate disease marker, human prostate specific antigen. Protein Science, 11: 2033-2044 (1994). Villoutreix BO, Getzoff ED, Griffin JH.


1995    Go to PubMed
5) Characterization of a cDNA for Rhesus monkey protein C inhibitor. Evidence for N-terminal involvement in heparin stimulation. Thrombosis and Haemostasis, 74: 1079-1087 (1995). Radtke K-P., Fernandez JA, Villoutreix BO, Greengard JS, Griffin JH.

6) Comparative modeling of the three CP modules of the beta-chain of C4b-binding protein and evaluation of potential sites of interaction with protein S. Protein Engineering, 8: 1253-1258 (1995). Villoutreix BO, Fernandez JA, Teleman O, Griffin JH.

1996    Go to PubMed
7) Two allele polymorphism in protein C inhibitor with varying frequencies in different ethnic populations. Thrombosis and Haemostasis, 75: 62-69 (1996). Radtke K-P., Greengard JS, Fernandez JA, Villoutreix BO, Griffin JH.

8) Structural Investigation of the Alpha-1-Antichymotrypsin: Prostate Specific Antigen Complex by Comparative Model Building. Protein Science, 5: 836-851 (1996).  Villoutreix BO, Lilja H, Pettersson K, Lovgren T, Teleman O.

1997   Go to PubMed
9) Local electrostatic potentials in pyridoxal phosphate labelled horse heart cytochrome c. J. Photochem. Photobiol 37: 74-83 (1997). Miteva M, Kossekova G, Villoutreix BO, Atanasov BP.

10) A Theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor Protein S: From Biostructural Pathology to Species- Specific Cofactor Activities. Journal of Computer-Aided Molecular Design 11: 293-304 (1997). Villoutreix BO, Teleman O, Dahlback B.

11) Calcium binding to tandem repeats of EGF-like modules: expression and characterization of the EGF-like modules of human Notch-1 implicated in receptor-ligand interactions. Protein Science 6: 2059-2071 (1997). Rand MD, Lindblom A, Carlson J, Villoutreix BO, Stenflo J.

12) The SHBG region of the anticoagulant cofactor protein S: secondary structure prediction, circular dichroism and analysis of naturally occuring mutations. Proteins: Structure, Function & Genetics 29: 478-491 (1997). Villoutreix BO, Garcia de Frutos P, Lovenklev M, Linse S, Fernlund P, Dahlback B.

13) Structural Analysis of an Anti-Estradiol Antibody. Molecular Immunology 34: 1215-1226 (1997). Lamminmaki U, Villoutreix BO, Jauria P, Saviranta P, Vihinen M, Nilsson L,Teleman O, Lovgren T.

1998    Go to PubMed
14) Determination and analysis of antigenic epitopes of prostate specific antigen (PSA) and human prostatic glandular kallikrein (hK2) using synthetic peptide and computer modeling. Protein Science 7: 259-269 (1998). Piironen T, Villoutreix BO, Becker C, Hollingsworth K, Vihinen M, Bridon D, Qiu X, Rapp J, Dowell B, Lovgren T, Pettersson K, Lilja H.

15) Structural investigation of human C4b-binding protein by molecular modeling: Localization of putative binding sites. Proteins: Structure, Function & Genetics 31: 391-405 (1998). Villoutreix BO, Hardig Y, Wallqvist A, Covell DG, Garcia de Frutos P, Dahlback B.

16) Structural investigation of the A domains of human blood coagulation factor V by molecular modeling. Protein Science 7: 1317-1325 (1998). Villoutreix BO, Dahlback B.

17) Molecular models for the two discoidin domains of human blood coagulation factor V. Journal of Molecular Modeling 4: 268-275 (1998). Villoutreix BO, Bucher P, Hofmann K, Baumgartner S, Dahlback B.

18) The C4b-binding protein-protein S interaction is hydrophobic in nature. Biochimica et Biophysica Acta, section Protein Structure & Molecular Enzymology 1388: 181-189 (1998). Blom AM, Covell DG, Wallqvist A , Dahlback B, Villoutreix BO.

19) Topological studies on the amino terminal modules of vitamin K-dependent protein S using epitope mapping and molecular modeling. Thrombosis and Haemostasis 80: 798-804 (1998). Giri T, Villoutreix BO, Wallqvist A, Dahlback B, Garcia de Frutos P.

20) Amino acid residues in thrombin-sensitive region and first EGF-domain of vitamin K-dependent protein S determining specificity of the activated protein C cofactor function. J. Biol. Chem. 273: 27449-27458 (1998). He X, Shen L, Villoutreix BO, Dahlback B.

21) Molecular model for the C-type lectin domain of human thrombomodulin. Journal of Molecular Modeling 4: 310-322 (1998). Villoutreix BO, Dahlback B.

1999    Go to PubMed

22) Probing the activation of protein C by the thrombin-thrombomodulin complex using structural analysis, site directed mutagenesis and computer modeling. Proteins: Structure, Function & Genetics 35:218-234 (1999). Knobe KE, Berntsdotter A, Shen L, Morser J, Dahlback B, Villoutreix BO.

23) A cluster of positively charged amino acids in the C4BP alpha-chain is crucial for C4b binding and factor I cofactor function. J. Biol. Chem. 274:19237-19245 (1999). Blom AM, Webb J, Villoutreix BO, Dahlback B.

24) Involvement of Lys 62[217] and Lys 63[218] of human anticoagulant protein C in heparin stimulation of inhibition by the protein C inhibitor. Thrombosis and Haemostasis 82: 72-79 (1999). Shen L, Villoutreix BO, Dahlback B.

25) Interspecies loop grafting in the protease domain of human protein C yielding enhanced catalytic and anticoagulant activity. Thrombosis and Haemostasis 82: 1078-1087 (1999). Shen L, Villoutreix BO, Dahlback B.

26) In-vitro characterization of two naturally occurring mutations in the thrombin sensitive region of anticoagulant protein S. Thrombosis and Haemostasis 82: 1627-1633 (1999). (cover page). Giri T, Garcia de Frutos P, Yamazaki T, Villoutreix BO, Dahlback B.

27) Partial Glycosylation of Asn2181 in Human FV as cause of molecular and functional heterogeneity. Biochemistry 38: 13584-13591 (1999). Nicolaes GAF, Villoutreix BO, Dahlback B.

28) Structural prediction and analysis of endothelial protein C /activated protein C receptor. Protein Engineering 12: 833-840 (1999). Villoutreix BO, Blom AM, Dahlback B.

2000    Go to PubMed

29) Quaternary structure of the HSC70 cochaperone HIP. Biochemistry 39: 307-315, (2000). Velten M, Villoutreix BO, Ladjimi MM.

30) Mutations in a potential phospholipid binding loop in the C2 domain of factor V affecting the assembly of the prothrombinase complex. Blood Coagulation and Fibrinolysis 11: 89-100 (2000). Nicolaes GAF, Villoutreix BO, Dahlback B.

31) Tracking structural features leading to resistance of activated protein C to alpha-1-antitrypsin. Biochemistry 39: 2853-2860 (2000). Shen L, Dahlback B, Villoutreix BO.

32) Structural model of human alpha-1-microglobulin: proposed scheme for the interaction with the Gla domain of protein C. Blood Coagulation and Fibrinolysis 11: 261-276 (2000). Villoutreix BO, Akerstrom B, Lindqvist A.

33) Human C4b-binding protein has overlapping but not identical binding sites for C4b and streptococcal M proteins. J. Immunology 164: 5328-5336 (2000). Blom AM, Berggard K, Webb J, Lindahl G, Villoutreix BO, Dahlback B.

34) Positively charged amino acids at the interface between alpha-chain CCP1 and CCP2 of C4BP are required for regulation of the classical C3-convertase. Molecular Immunology 37: 445-453 (2000). Blom AM, Foltyn-Zadura A, Villoutreix BO, Dahlback B.

35) FVIII inhibitors in two families with mild haemophilia A: structural analysis of the mutations. Haemostasis 30: 268-279 (2000). Knobe KE, Villoutreix BO, Tengborn LI, Petrini P, Ljung RCR.

36) Immunological detection of conformational neoepitopes associated with the serpin activity of protein C inhibitor. Biochemistry 39: 15713-15720 (2000). Eriksson K, Kjellberg M, Persson U, Erb E-M, Mosher DF, Villoutreix BO, Stenflo J.

2001    Go to PubMed

37) Screening the molecular surface of anticoagulant protein C: a search for interaction sites. Journal of Computer-Aided Molecular Design 15: 13-27 (2001). Villoutreix BO, Covell DG, Blom AM, Wallqvist A, Friedrich U, Dahlback B.

38) Localization of a hydrophobic binding site for anticoagulant protein S on the beta-chain of the complement regulator C4b-binding protein. J Biol Chem 276 : 4330-4337 (2001). Webb J, Villoutreix BO, Dahlback B, Blom AM.

39) Three-dimensional models of the SHBG-like region of anticoagulant protein S: new structure-function insights. Proteins: Structure, Function & Genetics 43: 203-216 (2001) (cover page). Villoutreix BO,  Dahlback B, Borgel D, Gandrille S, Muller YA.

40) Structural and energetic characteristics of the heparin binding site in antithrombotic protein C. J Biol Chem 276: 24122-24128 (2001). Friedrich U, Blom AM, Dahlback B, Villoutreix BO.

41) Secondary substrate-binding exosite in the serine protease domain of activated protein C important for cleavage at R506 but not at R306 in factor Va. J Biol Chem 276: 23105-23108 (2001). Friedrich U, Nicolaes GAF, Villoutreix BO, Dahlback B.

42) Proposed lipocalin-fold for apolipoprotein ApoM based on bioinformatics and site directed mutagenesis. FEBS letter 499: 127-132 (2001). (cover page). Duan J, Dahlback B, Villoutreix BO.

43) Defect of heparin binding in plasma and recombinant von Willebrand factor with type 2 von Willebrand disease mutations. Thrombosis and Haemostasis 86:1459-1469 (2001). Rastegar-Lari G, Ajzenberg N, Ribba AS, Vereycken-Holler V, Legendre P, Villoutreix BO, Meyer D, Baruch D.

44) Characterization and structural impact of five novel PROS1 mutations in eleven protein S deficient families. Thrombosis and Haemostasis 86:1392-1399 (2001). Andersen BD, Bisgaard ML, Lind B, Philips M, Villoutreix BO, Thorsen S.

2002    Go to PubMed

45) Three-dimensional structure of membrane-bound coagulation factor VIII. Modeling membrane-bound FVIII heterodimer within a 3D density map derived by electron cystallography. Blood 99: 1215-1223 (2002). Stoylova S, Villoutreix BO, Mertens K, Kemball-Cook G, Holzenburg A.

46) Structural requirements in anticoagulant protein S for the binding to complement regulator C4b-binding protein. J Biol Chem 277: 15099-15106 (2002). Giri TK, Linse S, de Frutos PG, Yamazaki T, Villoutreix BO, Dahlback B.

47) Clusters of charged residues located in the electropositive face of the von Willebrand factor A1 domain are essential for heparin binding. Biochemistry 41: 6668-6678 (2002). Rastegar-Lari G, Villoutreix BO, Legendre P, Ribba AS, Meyer D, Baruch D.

48) The N-terminal EGF domain of coagulation factor IX: probing its functions in the activation of factor IX and factor X activations with a monoclonal antibody. J Biol Chem 277: 35616-35624 (2002). Persson KEM, Villoutreix BO, Thamlitz A-M, Knobe KE, Stenflo J.

49) Protein C deficiency caused by homozygosity for a novel PROC Asp180Gly mutation – in vitro expression and structural analysis of the mutation. Thrombosis and Haemostasis 88: 632-638 (2002). Lind B, Gedde-Dahl T, Tjonnfjord G, Villoutreix BO, Brosstad F.

50) A novel interaction of outer membrane Protein A with C4b-binding protein mediates serum resistance of Escherichia coli K1. J. Immunology 169:6352-6360 (2002). Prasadarao NV, Blom AM, Villoutreix BO, Linsangan LC.

51) Defining the FXa binding site on FVa by directed glycosylation. J Biol Chem 277:50022-50029 (2002). Steen M, Villoutreix BO, Norstrom EA, Yamazaki T, Dahlback B.

2003 Go to PubMed

52) C4b-binding protein beta-chain: influence of CCP2 on binding to protein S and development of new monoclonal anti-beta-chain antibodies. European J. Biochemistry 270: 93-100 (2003). Webb JH, Villoutreix BO, Dahlback B, Blom AM.

53) Antithrombin F229L: a new homozygous variant with circulating AT polymers associated with severe thrombosis. Blood 102: 919-925 (2003). Picard V, Dautzenberg M-D, Villoutreix BO, Alhenc-Gelas M, Aiach M.

54) Functional studies of the factor IX EGF-module mutations P55S and P55L that cause mild Haemophilia B. J of Thrombosis and Haemostasis 1: 782-790 (2003). Knobe KE, Persson KEM, Sjorin E, Villoutreix BO, Stenflo J, CR Rolf.

55) Factor V New Brunswick: Ala221Val associated with FV deficiency reproduced in vitro and functionally characterized. Blood 102: 1316-1322 (2003). Steen M, Miteva M, Villoutreix BO, Yamazaki T, Dahlback B.

56) Mutations in alpha-chain of C4BP that selectively affect its Factor I cofactor function. J Biol Chem 278: 43437-42 (2003). Blom AM, Villoutreix BO, Dahlback B.

57) Epitope mapping of a murine monoclonal antibody possessing high affinity for a portion of the SEC receptor binding site of human antithrombin. Eur J. Biochemistry 270:4059-4069 (2003). Long GL, Kjellberg M, Villoutreix BO, Stenflo J.

58) Polymorphisms within the Cyclooxygenase-1 (Prostaglandin-endoperoxide Synthase-1) gene in stroke patients and controls. Thrombosis Research 112:275-83 (2003). Hillarp A, Palmqvist B, Lethagen S, Villoutreix BO, Mattiasson I.

2004    Go to PubMed

59) Miteva M, Brugge JM, Rosing J, Nicolaes GAF, Villoutreix BO. Biophysical Journal 86:488-498 (2004). Theoretical and experimental study of the Asp2194Gly mutation in the C2 domain of coagulation factor V.

60) Kask L, Villoutreix BO, Steen M, Dahlback B, Blom AM. Protein Science 13:1356-64 (2004). Structural stability and heat-induced conformational change of two complement inhibitors: C4b-binding protein and factor H.

61) Nicolaes GAF, Sorensen KW, Friedrich U, Tans G, Rosing J, Autin L, Dahlback B, Villoutreix BO. Eur J Biochem 271: 2724-2736 (2004). Altered inactivation pathway of factor Va by activated protein C in the presence of heparin. 

62) Sorensen K, Nicolaes GAF, Villoutreix BO, Yamazaki T, Tans G, Rosing J, Dahlback B. Biochemistry 43:5803-5810 (2004). Functional properties of recombinant factor V mutated in a potential calcium-binding site.

63) Mark L, Lee WH, Spiller B, Proctor D, Blackbourn D, Villoutreix BO, Blom AM. J Biol Chem 279:45093-101 (2004). KSHV complement control protein mimics human molecular mechanisms for inhibition of the complement system. 

2005     Go to PubMed

64) Lee WH, Raas-Rotschild A, Miteva MA, Bolasco G, Rein AJ, Gillis D, Vidaud D, Vidaud M, Villoutreix BO, Parfait B. Proteins 58:7-13 (2005). Noonan Syndrome type I with PTPN11 3 bp deletion - structure-function implications. 

65) Saller F, Villoutreix BO, Amelot A, Kaabache T, Le Bonniec BF, Aiach M, Gandrille S, Borgel D. Blood 105:122-130 (2005). The gamma-carboxyglutamic acid (Gla) domain of anticoagulant protein S is involved in activated protein C cofactor activity independently of phospholipid binding. 

66) Akhavan  S, Miteva  MM, Villoutreix BO, Venisse L, Peyvandi F, Mannucci PM, Guillin M-C, Bezeaud A. J Thrombosis Haemost 3:139-145 (2005). A critical role for Gly25 in the B chain of human thrombin. 

67) Miteva MA, Tuffery P, Villoutreix BO. Nucleic Acids Res. 33:W372-W375 (2005). PCE: web tools to compute Protein Continuum Electrostatics. 

68) Alland C, Boens D, Carpentier M, Chiusa S, Lonquety M, Moreews F, Renault N, Wong Y, Cantalloube H, Hochez J, Chomilier J, Pothier J, Villoutreix BO, Zagury JF, Tuffery P. Nucleic Acids Res. 33:W44-W49 (2005). RPBS: a web resource for structural bioinformatics. 

69) Molecular Models of the Procoagulant Intrinsic Tenase Complex. J. Thrombosis and Haemostatis 3:2044-56 (2005). Autin L, Miteva MM, Lee WH, Mertens K, Radtke KP and Villoutreix BO.

70) Fast structure-based virtual ligand screening by combining FRED, DOCK and Surflex. J Med Chem 48:6012-22 (2005). Miteva MA,  Lee WH,  Montes MO,  Villoutreix BO.

2006    Go to PubMed

71) Compound heterozygosity for two novel mutations in the prothrombin gene associated with a severe bleeding tendency.  Thrombosis and Haemostasis 95:195-198 (2006). Stanchev H, Philips M, Villoutreix BO, Aksglade L, Lethagen S, and Thorsen S.

72) Proposed structural models of the prothrombinase (FXa-FVa) complex. Proteins 63:440-450 (2006). Autin L, Steen M, Dahlback B, Villoutreix BO.

73) A formylated hexapeptide ligand mimics the ability of Wnt-5a to impair breast cancer cell migration. J Biol Chem 281:2740-2749 (2006). Safholm A, Leandersson K, Dejmek J, Kamp Nielsen, Villoutreix BO, Andersson T.

74) The Kaposis sarcoma-associated human herpesvirus complement control protein (KCP) binds to heparin and cell surfaces via positively charged amino acids in CCP 1-2. Mol. Immunology 43:1665-1675 (2006). Mark L, Lee WH, Spiller OB, Villoutreix BO, Blom AM.

75) FAF-Drugs: free ADME/tox filtering of compound collections. Nucleic Acids Res. 34:W738-44 (2006). Miteva MA, Violas S, Montes M, Gomez D, Tuffery P, Villoutreix BO.

76) Functional Analysis of the Factor IX Epidermal Growth Factor-Like Domain Mutation Ile66Thr Associated with Mild Hemophilia B. Pathophysiol Haemost Thromb. 2006;35(5):370-5. Knobe KE, Persson KE, Sjorin E, Villoutreix BO, Ljung RC.

2007    Go to PubMed

77) Structure-based virtual ligand screening with LigandFit: pose prediction and enrichment of compound collections. Proteins 68: 712-725 (2007). Montes M, Miteva MA, Villoutreix BO.

78) MED-SuMoLig: A new ligand-based screening tool for efficient scaffold hopping J. Chem. Inf. Model 47:1097-110 (2007). Sperandio O, Andrieu O, Miteva MA, Vo M-Q, Souaille M, Delfaud F, Villoutreix BO.

79) Frog: a FRee Online druG 3D conformation generator. Nucleic Acids Res. 35:W568-72 (2007). Leite B, Gomes D, Miteva MA, Chomilier J, Villoutreix BO, Tuffery P.

80) Design of protein-membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of Factor V. Proc Natl Aca Sci 104:12697-702 (2007). Segers K, Sperandio O, Sack M, Fischer R, Miteva MA, Rosing J, Nicolaes GAF, Villoutreix BO.

81) Molecular characterization of the interaction between porins of Neisseria gonorrhoeae and C4b-binding protein. The Journal of Immunology 179:540-7 (2007). Jarva H, Ngampasutado J, Ram S, Rice PA, Villoutreix BO, Blom AM.


2008    Go to PubMed

82) Defining the structure of membrane-bound human blood coagulation Factor VaJ. Thrombosis and Haemostatis 6:76-82 (2008). Stoilova-McPhie S, Parmenter CDJ, Segers K, Villoutreix BO, Nicolaes GAF.

83) Receptor-based virtual ligand screening for the identification of novel CDC25 phosphatase inhibitors.  J. Chem. Inf. Model. 48:157-165 (2008). Montes M, Braud E, Miteva MA, Goddard M-L, Mondésert O, Kolb S, Brun M-P, Ducommun B, Garbay C, Villoutreix BO.

84) A novel non-synonymous polymorphism (p.Arg240His) in C4b-binding protein is associated with atypical hemolytic uremic syndrome and leads to impaired alternative pathway cofactor activity.
The Journal of Immunology 180:6385-91 (2008)Blom AM, Bergstrom F, Edey M, Diaz-Torres M, Kavanagh D, Lampe A, Goodship JA, Strain L, Moghal N, McHugh M, Inward C, Tomson C, Fremeaux-Bacchi V, Villoutreix BO, Goodship THJ.

85) A novel Syk binding small molecule prevents anaphylactic shocks when administrered orally.  Journal of Allergy and Clinical Immunology 122:188-94 (2008). Mazuc E, Villoutreix BO, Malbec O, Leonetti J-P, Dombrowicz D, Daeron M, Martineau P, Dariavach P.

86) MS-DOCK: Efficient Multiple Conformation Generator and Multi-Step Rigid Docking Protocol. BMC Bioinformatics 9:184 (2008). Sauton N, Lagorce D, Villoutreix BO, Miteva MA.  

87) Characterization of the complement inhibitory function of Rhesus Rhadinovirus complement control protein (RCP). Okroj M, Mark L, Stokowska A, Wong SW, Rose N, Blackbourn DJ, Villoutreix BO, Spiller OB, Blom AM. J. Biol. Chem. (in press). 

88) Genetic, molecular and functional analysis of complement factor I deficiency.  Eur. J Immunology (in press). Nilsson S, Trouw LA, Renault N, Miteva MA, Genel F, Zelazko M, Sjoholm AG, Luthman H, Truedsson L, Villoutreix BO, Blom AM.

89) MED-3DMC: A new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space. 
European Journal of Medicinal Chemistry (in press). Sperandio O, Souaille M, Delfaud F, Miteva MA, Villoutreix BO.

90) AMMOS: automated molecular mechanics optimization tool for
in silico screening.  BMC Bioinformatics (in press).  Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA.

91)
Mapping of the FXa-binding site on factor Va by site-directed mutagenesis. J. Biol. Chem. 283:20805-12 (2008). Steen M, Tran S, Autin L, Villoutreix BO, Tholander A-L, Dahlback B.

92) FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.
BMC Bioinformatics (in press). David Lagorce, Olivier Sperandio, Herve GALONS,  Maria A. Miteva, Bruno O. Villoutreix.

93) Impact of complement Factor I mutations associated with atypical HUS on protein function and clinical outcome.  JASN (Submitted). Bienaime F, Dragon-Durey M-A, Regnier CH, Nilsson SC, Kwan WH, Blouin J, Jablonsky M, Renault N, Rameix-Welti M-A, Loirat C, Sautes-Fridman C, Villoutreix BO, Blom AM and Frémeaux-Bacchi V.

94) The Tensin family member C1-TEN exhibits phosphatidylinositol 3,4,5-trisphosphate phosphatase activity at the plasma membrane.
Biochemistry (Submitted). Sassan Hafizi, Anna Gustafsson, Cecilia Oslakovic, Anders Tengholm, Olof Idevall-Hagren, Olivier Sperandio, Bruno Villoutreix and Bjorn Dahlback.




-----------------------------------------On the way

93) Target Matthieu-Michele - NicoB - PRO PRO PRO (in preparation- screening

96) Michel - Nicolas Target VVEEGG - screening

97) Anne Francoise Target GGRR - screening

98) Gerry PPCCP - screening

99) Target Fabien FUFUFU (in preparation- screening 

Reviews    Go to PubMed

1) The complement regulator C4b-binding protein analyzed by molecular modeling, bioinformatics and computer-aided experimental design. Immunopharmacology, 42:121-134 (1999). Villoutreix BO, Blom AM, Webb J, Dahlback B.

2) Introduction to structural bioinformatics, applications to blood coagulation factor V and factor VIII. Hematologie 7: 287-296 (2001). (cover page) (in French). Villoutreix BO, Nicolaes GAF, Aiach M.

3) Structural Bioinformatics: methods, concepts and applications to blood coagulation proteins. Current Protein and Peptide Science (special issue on Structure and Function of Blood Coagulation Proteins) 3: 341-364 (2002). Villoutreix BO. (here)

4) Molecular recognition in the protein C anticoagulant pathway. J. of Thrombosis & Haemostasis (State of the Art, ISTH 2003) 1: 1525-1534 (2003). Dahlback B, Villoutreix BO.

5) Functions of human complement inhibitor C4b-binding protein in relation to its structure. Arch Immunol Ther Exp (Warsz) 52: 83-95 (2004). Blom AM, Villoutreix BO, Dahlback B.

6) Complement inhibitor C4b-binding protein – friend or foe of the immune system. Molecular Immunology 40:1333-1346 (2004). Blom AM, Villoutreix BO, Dahlback B.

7) Regulation of blood coagulation by the protein C anticoagulant pathway, novel insights into structure-function relationships and molecular recognition. Arteriosclerosis, Thrombosis and Vascular Biology (ATVB) (cover page) 25: 1311-1320 (2005). Dahlback B and Villoutreix BO.

8) The anticoagulant protein C pathway. FEBS Letters 579: 3310-3316 (2005). Dahlback B and Villoutreix BO.

9) Sperandio O, Miteva MA, Delfaud F,  Villoutreix BO. Current Protein and Peptide Science (special issue on Drug Design, Guest editor). 7 : 369-393 (2006) (cover page). Receptor-Based Computational Screening of Compound Databases: the main docking/scoring engines. (here)

10) Mark L, Spiller BO, Villoutreix BO, Blom AM. Molecular Immunology (2007); 44(1-3):11-22. Kaposis sarcoma associated herpes virus complement inhibitor: KCP – complement inhibitor and more.

11) Villoutreix BO. Structure-based virtual ligand screening. Current Protein and Peptide Science (special issue on Drug Design, Guest editor). 7: 367 (2006).

12) Villoutreix BO. Bioinformatique structurale, criblage in silico en 3D. Sci Tech Anim Lab. Colloque OPAL. Recherche experimentale et protection de l'animal de laboratoire. 22-26 (2006)

13) Free Resources In Structure-Based Virtual Ligand Screening For The Protein Scientist. Current Protein and Peptide Science 8: 381-411 (2007). Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M and Miteva MA. (here)

14) Structure-based virtual ligand screening: recent success stories. Combinatorial Chemistry and High Throughput Screening Villoutreix BO, Eudes R, Miteva MA. (in press 2009).

15) Screening outside the catalytic site: inhibition of macromolecular interactions through structure-based virtual ligand screening experiments. The Open Biochemistry Journal 2: 29-37 (2008)Sperandio O, Miteva M, Segers K, Nicolaes GAF, Villoutreix BO. (here)

16) In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics. Current Pharmaceutical Biotechnology 9:103-22 (2008) - B. Villoutreix, K. Bastard, O. Sperandio, R. Fahraeus, J-L Poyet, F. Calvo, B. Deprez, and MA Miteva. (here)

17) Virutal ligand screening for structure-based drug design: approaches and progress. Bioautomation 7: 104-121 (2008). Miteva MA, Sperandio O, Villoutreix BO.

18) Combining structure-based and ligand-based virtual ligand screening: recent success stories Current Computer-Aided Drug Design 4:250-258 (2008). Sperandio O, Miteva MA, Villoutreix BO.

Recent Congress Posters and Talks

THE C4b-BINDING PROTEIN beta-CHAIN: INFLUENCE OF CCP2 ON BINDING OF  PROTEIN S AND DEVELOPMENT OF TWO NEW MONOCLONAL ANTIBODIES. XIX INTERNATIONAL COMPLEMENT  WORKSHOP.
September 22-26, 2002. San Paolo Palace Hotel. Palermo, Italy. Webb J.H., Villoutreix B.O., Dahlbäck B. and Blom A.M.

The viral complement control protein KCP binds to heparin and cell surfaces via positively charged amino acids in CCP 1–2.
L. Mark,W.H. Lee, O. Brad Spiller, B.O.Villoutreix, A.M. Blom. 10th European Meeting on Complement in Human Disease. Sept 11, 2005, Heidelberg.

XX INTERNATIONAL COMPLEMENT  WORKSHOP.
Localization of functional sites in the viral complement inhibitor KCP
L. Mark, B. Villoutreix, B.O. Spiller, A.M. Blom. June 15, 2004. Honolulu, Hawaii

Molecular Models of the Procoagulant Intrinsic Tenase Complex; ASH meeting (December 2004, http://www.hematology.org/meeting/; San Diego, CA, USA. Autin L, Lee WH, Miteva MM, Mertens K, Radtke KP and Villoutreix BO.

Structure-based virtual ligand screening with LigandFit: pose prediction and enrichment of compound collections. Matthieu Montes, Maria A. Miteva, Bruno O. Villoutreix. 
European Science Forum, Paris Nov 21 2006. Accelrys.

ISTH 2007 Geneva (July 6-12) submitted:
Evidence of protein C (PC) Gla domain amino acids crucial for interaction with protein S (PS)
Saller F, Gandrille S, Villoutreix BO, Kaabache T, Aiach M, Emmerich J, Borgel D

Defining the structure of membrane-bound human blood coagulation Factor Va
Stoilova-McPhie S, Awosile FS,  Parmenter CDJ, Segers K, Villoutreix BO and Nicolaes GAF

Discovery of compounds that inhibit factor Va-membrane interaction by in silico screening
Segers K, Sperandio O, Sack M, Fischer R, Miteva MA, Rosing J,
Nicolaes GAF, Villoutreix BO.

4th Joint Sheffield Conference on Chemoinformatics (18-20 June, 2007): Inhibition of protein-membrane interactions by compounds selected via structure-based virtual ligand screening.  Segers K, Sperandio O, Sack M, Fischer R, Miteva MA, Rosing J, Nicolaes GAF, Villoutreix BO.

The 17th GP2A European Conferences & The 22nd Franco-Belgian Medicinal Chemistry Meetings (May 28-30, 2008), Caen, France. B. O. Villoutreix, plenary lecture - Multi-step structure-based in silico screening: methods and applications.


Protein flexibility in virtual screening: multiple receptor structures generated by normal mode analysis. (Poster)
Pinto E, Mouawad L , Sperandio O, Villoutreix BO, Perahia D, Miteva MA. Sofia School of Protein Science 2008 (Sept 17-19)

Villoutreix BO: Multi-step structure-based virtual ligand screening: main concepts and applications. Sofia School of Protein Science 2008 (Sept 17-19)

 
SOFIA SCHOOL OF PROTEIN SCIENCE - 2008

Book Chapters
Computer tools to study intermolecular interactions. Recent Adv. In Prot. Eng. (2007, Chapt 9.
Ed. Research signpost, Trivandrum, India. ISBN:978-81-308-0208-4). L. Autin, M. Montes, MA. Miteva, BO Villoutreix.

Protein Structure Analysis Online.  Current Protocols in Protein Science, John Wiley & Sons, Inc. (Chapt 2: Unit 2.13, 2007). Maria A. Miteva, Emil Alexov, Bruno O. Villoutreix.  (here)