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    Barry Bunin, Ph.D.

    CEO & Board Director
    Collaborative Drug Discovery & CDD Vault

    Barry A. Bunin, Ph.D. is the CEO of Collaborative Drug Discovery. Dr. Bunin has overseen $50 million+ in business transactions over the last two decades. Prior to CDD, he was an Entrepreneur in Residence with Eli Lilly & Co. Dr. Bunin is on a patent for Kyprolis™ (Carfilzomib for Injection) — a selective proteasome inhibitor that received accelerated FDA approval for the treatment of patients with multiple myeloma that was widely viewed as the centerpiece of Amgen’s $10.4 Billion acquisition of Onyx Pharmaceuticals.

    Dr. Bunin was the founding CEO, President, & CSO of Libraria (now Eidogen-Sertanty). At Libraria, he led a team that integrated exhaustive reaction capture (synthetic chemistry) with gene-family wide SAR capture (medicinal chemistry). On the scientific side, he co-authored “Chemoinformatics: Theory, Practice, and Products” (Springer-Verlag), a text that overviews modern chemoinformatics technologies, and “The Combinatorial Index” (Academic Press), a widely used text on high-throughput chemical synthesis.

    In the lab, Dr. Bunin did medicinal synthetic chemistry developing patented new chemotypes for protease inhibition at Axys Pharmaceuticals (now Celera) and RGD mimics to inhibit GP-IIbIIIa at Genentech. Dr. Bunin received his B.A. from Columbia University and his Ph.D. from UC Berkeley, where he synthesized and tested the initial 1,4-benzodiazepine libraries with Professor Jonathan Ellman.

    Education

    Columbia University
    BA, Chemistry (Advisor N. J. Turro)
    Physical Organic Chemistry and Education

    UC Berkeley
    Ph.D., Bioorganic Chemistry (Advisor Jonathan Ellman)
    Bioorganic synthetic chemistry

    Patents

    • Hybrid machine-user learning system and process for identifying, accurately selecting and storing scientific data. (U.S. Patent No. 9,594,743, issued March 14, 2017)
    • Compounds for enzyme inhibition (US Patent 8,324,174, Issued, Dec 4, 2012)
      • Patent(s) for Kyprolis™ (Carfilzomib for Injection) — a selective proteasome inhibitor that received accelerated FDA approval for the treatment of patients with multiple myeloma that was widely viewed as a centerpiece of Amgen’s $10.4 Billion acquisition of Onyx Pharmaceuticals.
    • Method of flexibly generating diverse reaction chemistries. (US Patent WO 2003044219, Filed Nov 19, 2002)
      • Computational tools automatically suggest/generate diverse reaction sets for particular precursors, classes of precursors, or different reaction chemistries. This is accomplished by automatically generating a group of reaction chemistries for a particular precursor or class of precursors. Some of the reactions and/or products may be produced without reliance on reactions and products reported in available references.

    Citations

     
     
    Citations 3217 762
    h-index 26 15
    i10-index 41 28
     

    Publications

    PUBLICATION TITLE CITED BY PUB YEAR
    A general and expedient method for the solid-phase synthesis of 1, 4-benzodiazepine derivatives

     

    BA Bunin, JA Ellman
    Journal of the American Chemical Society 114 (27), 10997-10998
    705 1992
    The combinatorial synthesis and chemical and biological evaluation of a 1, 4-benzodiazepine library

     

    BA Bunin, MJ Plunkett, JA Ellman
    Proceedings of the National Academy of Sciences 91 (11), 4708-4712
    455 1994
    The combinatorial index

     

    BA Bunin
    Elsevier
    376 1998
    Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery

     

    M Hohman, K Gregory, K Chibale, PJ Smith, S Ekins, B Bunin
    Drug discovery today 14 (5-6), 261-270
    145 2009
    Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties

     

    RR Gupta, EM Gifford, T Liston, CL Waller, M Hohman, BA Bunin, S Ekins
    Drug Metabolism and Disposition 38 (11), 2083-2090
    89 2010
    Bayesian models leveraging bioactivity and cytotoxicity information for drug discovery

     

    S Ekins, RC Reynolds, H Kim, MS Koo, M Ekonomidis, M Talaue, ...
    Chemistry & biology 20 (3), 370-378
    88 2013
    A collaborative database and computational models for tuberculosis drug discovery

     

    S Ekins, J Bradford, K Dole, A Spektor, K Gregory, D Blondeau, ...
    Molecular BioSystems 6 (5), 840-851
    86 2010
    Chemoinformatics Theory

     

    BA Bunin, B Siesel, GA Morales, J Bajorath
    Chemoinformatics: Theory, Practice, & Products, 1-49
    84 2007
    Compounds for enzyme inhibition

     

    MS Smyth, GJ Laidig, RT Borchardt, BA Bunin, CM Crews, JH Musser
    US Patent 7,232,818
    78 2007
    Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis

     

    S Ekins, T Kaneko, CA Lipinski, J Bradford, K Dole, A Spektor, K Gregory, ...
    Molecular bioSystems 6 (11), 2316-2324
    74 2010
    Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery

     

    S Ekins, J Lage de Siqueira-Neto, LI McCall, M Sarker, M Yadav, ...
    PLoS neglected tropical diseases 9 (6), e0003878
    67 2015
    Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian models

     

    S Ekins, RC Reynolds, SG Franzblau, B Wan, JS Freundlich, BA Bunin
    PloS one 8 (5), e63240
    57 2013
    Non Nucleic Acid Inhibitors of Protein⊙ DNA Interactions Identified through Combinatorial Chemistry

     

    SY Stevens, BA Bunin, MJ Plunkett, PC Swanson, JA Ellman, GD Glick
    Journal of the American Chemical Society 118 (43), 10650-10651
    57 1996
    Application of combinatorial and parallel synthesis to medicinal chemistry

     

    BA Bunin, JM Dener, DA Livingston
    Annual reports in medicinal chemistry 34, 267-286
    51 1999
    Compounds for enzyme inhibition

     

    MS Smyth, GJ Laidig, RT Borchardt, BA Bunin, CM Crews, JH Musser, ...
    US Patent 8,088,741
    49 2012
    Compounds for enzyme inhibition

     

    MS Smyth, GJ Laidig, RT Borchardt, BA Bunin, CM Crews, JH Musser
    US Patent 7,491,704
    44 2009
    Combinatorial chemistry

     

    JN Abelson, MI Simon, GA Morales, BA Bunin
    Elsevier
    44 1996
    Ten simple rules for cultivating open science and collaborative R&D

     

    H Masum, A Rao, BM Good, MH Todd, AM Edwards, L Chan, BA Bunin, ...
    PLoS computational biology 9 (9), e1003244
    43 2013
    Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis

     

    S Ekins, AC Casey, D Roberts, T Parish, BA Bunin
    Tuberculosis 94 (2), 162-169
    39 2014
    Compounds for enzyme inhibition

     

    MS Smyth, GJ Laidig, RT Borchardt, BA Bunin, CM Crews, JH Musser
    US Patent 8,129,346
    38 2012

    Presentations and Interviews

    Interviews 

    (Links open in new tab)

     

    CDD Spotlights & Webinars

    Barry Bunin in conversation with leaders in the scientific community