Title:
IN SILICO AFFINITY MATURATION
Document Type and Number:
WIPO Patent Application WO/2013/093627
Kind Code:
A3
Abstract:
Methods are disclosed for increasing the binding affinity of binding proteins using in silico affinity maturation.
Inventors:
OBERLIN MICHAEL (FR)
KROEMER ROMANO (FR)
MIKOL VINCENT (FR)
MINOUX HERVE (FR)
BAURIN NICOLAS (FR)
KROEMER ROMANO (FR)
MIKOL VINCENT (FR)
MINOUX HERVE (FR)
BAURIN NICOLAS (FR)
Application Number:
PCT/IB2012/002994
Publication Date:
January 03, 2014
Filing Date:
December 18, 2012
Export Citation:
Assignee:
SANOFI SA (FR)
International Classes:
C40B50/02; G16B5/30; G16B15/20; G16B15/30; G16B35/10
Other References:
V. ZOETE ET AL: "MM-GBSA binding free energy decomposition and T cell receptor engineering", JOURNAL OF MOLECULAR RECOGNITION, vol. 23, no. 2, 1 March 2010 (2010-03-01), pages 142 - 152, XP055072230, ISSN: 0952-3499, DOI: 10.1002/jmr.1005
LIPPOW SHAUN M ET AL: "Computational design of antibody-affinity improvement beyond in vivo maturation", NATURE BIOTECHNOLOGY, NATURE PUBLISHING GROUP, NEW YORK, NY, US, vol. 25, no. 10, 1 October 2007 (2007-10-01), pages 1171 - 1176, XP002615650, ISSN: 1087-0156, [retrieved on 20070923], DOI: 10.1038/NBT1336
SHAUN M LIPPOW ET AL: "Computational design of antibody-affinity improvement beyond in vivo maturation - Supplementary Information", NATURE BIOTECHNOLOGY, 23 September 2007 (2007-09-23), pages 1171 - 1176, XP055072248, Retrieved from the Internet [retrieved on 20130722]
PARIMAL KAR ET AL: "Importance of Polar Solvation for Cross-Reactivity of Antibody and Its Variants with Steroids", THE JOURNAL OF PHYSICAL CHEMISTRY B, vol. 115, no. 23, 16 June 2011 (2011-06-16), pages 7661 - 7669, XP055072221, ISSN: 1520-6106, DOI: 10.1021/jp201538t
MICHAEL OBERLIN ET AL: "Engineering Protein Therapeutics: Predictive Performances of a Structure-Based Virtual Affinity Maturation Protocol", JOURNAL OF CHEMICAL INFORMATION AND MODELING, AMERICAN CHEMICAL SOCIETY, WASHINGTON, DC, US, vol. 52, no. 8, 12 July 2012 (2012-07-12), pages 2204 - 2214, XP009171229, ISSN: 1549-9596, DOI: 10.1021/CI3001474
FRAUKE GRÄTER ET AL: "Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics", THE JOURNAL OF PHYSICAL CHEMISTRY B, vol. 109, no. 20, 1 May 2005 (2005-05-01), pages 10474 - 10483, XP055072232, ISSN: 1520-6106, DOI: 10.1021/jp044185y
CLARK LOUIS A ET AL: "Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design", PROTEIN SCIENCE, CAMBRIDGE UNIVERSITY PRESS, vol. 15, no. 5, 1 May 2006 (2006-05-01), pages 949 - 960, XP002548548, ISSN: 0961-8368, DOI: 10.1110/PS.052030506
YAN LI ET AL: "Test MM-PB/SA on True Conformational Ensembles of Protein?Ligand Complexes", JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, AMERICAN CHEMICAL SOCIETY, COLOMBUS,OHIO, US, vol. 50, no. 9, 1 September 2010 (2010-09-01), pages 1682 - 1692, XP009171323, ISSN: 0095-2338, [retrieved on 20100809], DOI: 10.1021/CI100036A
M. ROSENBERG ET AL: "Computational Protein Design: A Novel Path to Future Protein Drugs", CURRENT PHARMACEUTICAL DESIGN, vol. 12, no. 31, 1 November 2006 (2006-11-01), pages 3973 - 3997, XP055072229, ISSN: 1381-6128, DOI: 10.2174/138161206778743655
LIPPOW SHAUN M ET AL: "Computational design of antibody-affinity improvement beyond in vivo maturation", NATURE BIOTECHNOLOGY, NATURE PUBLISHING GROUP, NEW YORK, NY, US, vol. 25, no. 10, 1 October 2007 (2007-10-01), pages 1171 - 1176, XP002615650, ISSN: 1087-0156, [retrieved on 20070923], DOI: 10.1038/NBT1336
SHAUN M LIPPOW ET AL: "Computational design of antibody-affinity improvement beyond in vivo maturation - Supplementary Information", NATURE BIOTECHNOLOGY, 23 September 2007 (2007-09-23), pages 1171 - 1176, XP055072248, Retrieved from the Internet
PARIMAL KAR ET AL: "Importance of Polar Solvation for Cross-Reactivity of Antibody and Its Variants with Steroids", THE JOURNAL OF PHYSICAL CHEMISTRY B, vol. 115, no. 23, 16 June 2011 (2011-06-16), pages 7661 - 7669, XP055072221, ISSN: 1520-6106, DOI: 10.1021/jp201538t
MICHAEL OBERLIN ET AL: "Engineering Protein Therapeutics: Predictive Performances of a Structure-Based Virtual Affinity Maturation Protocol", JOURNAL OF CHEMICAL INFORMATION AND MODELING, AMERICAN CHEMICAL SOCIETY, WASHINGTON, DC, US, vol. 52, no. 8, 12 July 2012 (2012-07-12), pages 2204 - 2214, XP009171229, ISSN: 1549-9596, DOI: 10.1021/CI3001474
FRAUKE GRÄTER ET AL: "Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics", THE JOURNAL OF PHYSICAL CHEMISTRY B, vol. 109, no. 20, 1 May 2005 (2005-05-01), pages 10474 - 10483, XP055072232, ISSN: 1520-6106, DOI: 10.1021/jp044185y
CLARK LOUIS A ET AL: "Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design", PROTEIN SCIENCE, CAMBRIDGE UNIVERSITY PRESS, vol. 15, no. 5, 1 May 2006 (2006-05-01), pages 949 - 960, XP002548548, ISSN: 0961-8368, DOI: 10.1110/PS.052030506
YAN LI ET AL: "Test MM-PB/SA on True Conformational Ensembles of Protein?Ligand Complexes", JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, AMERICAN CHEMICAL SOCIETY, COLOMBUS,OHIO, US, vol. 50, no. 9, 1 September 2010 (2010-09-01), pages 1682 - 1692, XP009171323, ISSN: 0095-2338, [retrieved on 20100809], DOI: 10.1021/CI100036A
M. ROSENBERG ET AL: "Computational Protein Design: A Novel Path to Future Protein Drugs", CURRENT PHARMACEUTICAL DESIGN, vol. 12, no. 31, 1 November 2006 (2006-11-01), pages 3973 - 3997, XP055072229, ISSN: 1381-6128, DOI: 10.2174/138161206778743655
Attorney, Agent or Firm:
ZWICKER, Jörk et al. (PartnerschaftsgesellschaftRadlkoferstrasse 2, München, DE)
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