Barry Bunin, Ph.D.

CEO & Board Director
Collaborative Drug Discovery & CDD Vault

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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

Memberships

American Chemical Society

Research Interests

Chemoinformatics
Drug Discovery
Electronic Lab Notebooks

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.

Awards

Passion in Science Award, 2019
Drugs & Diagnostics for Tropical Diseases

Citations

	ALL	SINCE 2016
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