2012 conference >>>>>>>>>>>>>>>>>> ICBS 2012 Conference: Explore New Frontiers, Foster Global Collaborations Oct. 4-5, 2012 about icbs >>>>>>>>>>>>>>>>>>>>>

ICBS Mission Statement The International Chemical Biology Society (ICBS) is an independent, nonprofit organization dedicated to promoting research and educational opportunities at the interface of chemistry and biology. ICBS provides an important international forum that brings together cross-disciplinary scientists from academia, nonprofit organizations, government, and industry to communicate new research and help translate the power of chemical biology to advance human health.

Officers ❖ Rathnam Chaguturu, Founding President ❖ Jonathan Baell, Membership ❖ Haian Fu, President-Elect/Vice-President ❖ Margaret Johns, Treasurer ❖ Petr Bartunek, Secretary

Board of Directors ❖ Melvin Reichman (US; Chair) ❖ Haian Fu (US) ❖ Jonathan Baell (Australia) ❖ Masatoshi Hagiwara (Japan) ❖ Petr Bartunek (Czech Republic) ❖ Krishna Kodukula (US) ❖ Rathnam Chaguturu (US) ❖ Lixin Zhang (China)

International Advisory Board ❖ Steven Benkovic, Penn State ❖ Litao Zhang, ❖ Sir Philip Cohen, University of Dundee ❖ Stuart Schreiber, Harvard ❖ Jian Ding, Shanghai Institute of Materia Medica ❖ Axel Ullrich, Max-Planck Institute ❖ Chris Lipinski, Melior Discovery ❖ Paul Workman, ICR-London ❖ Ferid Murad, George Washington University ❖ Tetsuo Nagano, University of Tokyo ❖ Bernard Munos, InnoThink ❖ Leonard Zon, HHMI/Harvard

2012 Conference Organizing Committee ❖ Haian Fu, Emory University (Chair) ❖ Doug Auld, Novartis Institutes forBioMedical Research (Co‐Chair) ❖ Jonathan Baell, Monash University, Australia ❖ Petr Bartůnĕk, Institute of Molecular Genetics, Czech Republic; ❖ Rathnam Chaguturu, SRI, US ❖ Masatoshi Hagiwara, Kyoto University, Japan ❖ Melvin Reichman, LIMR Chemical Genomics Center, US ❖ Lixin Zhang, Chinese Academy of Sciences, China

www.chemical-biology.org ❖ 140 Research Drive, Harrisonburg, VA 22802

ICBS | www.chemical-biology.org 2 ICBS 2012 Conference: Explore New Frontiers, Foster Global Collaborations

contents >>>>>>>>>>>>>>>>>>>>> 2 About ICBS

4 Agenda

7 ICBS 2012 Conference Sponsors

9 Speaker Abstracts & Biographies

32 Poster Presentations

33 Notes

ICBS | www.chemical-biology.org 3 ICBS 2012 Conference: Explore New Frontiers, Foster Global Collaborations agenda >>>>>>>>>>>>>>>>>>>>>

aDREAM Conference - Wednesday, October 3, 2012

7:00 am - 5:30 pm DEVELOPMENT OF ROBUST EXPERIMENTAL ASSAY METHODS CONFERENCE (aDREAM 2012) ***

250 Massachusetts Avenue, Auditorium Hosted by the National Center for Advancing Translational Sciences (NCATS) and NIH

*** free for registered ICBS Participants

ICBS - Thursday, October 4, 2012

7:15 am Registration Opens †

† Registration is at the 220 Massachusetts Avenue building adjacent to the auditorium where the talks will be held. 8:00 am Welcoming Remarks Rathnam Chaguturu, Founding President

8:20 pm Keynote Lecture: Paul Workman ❖ The Institute of Cancer Research ❖ UK The continuum of chemical biology probes and drugs for novel biological mechanisms and disease targets

Scientific Session Chair: Session I: Approaches to understanding and treating rare and Doug Auld ❖ Novartis Institutes for Biomedical Research ❖ US neglected diseases 9:00 am • Development of assays targeting gene‐dosage disease James Inglese ❖ NCATS/NHGRI ❖ US CMT1A 9:25 am • Glycolytic targets in Trypanosoma disease Malcolm Walkinshaw ❖ University of Edinburgh ❖ UK

9:50 am • Enzyme inhibition and In vitro RNA interference in Brad Haubrich ❖ Texas Tech University ❖ US Trypanosoma brucei reveals the importance of sterol C24‐ methylation for parasite growth and in mitigating human African trypanosomiasis

10:05 am • Repurposing kinase drug discovery for neglected tropical Michael P. Pollastri ❖ Northeastern University ❖ US diseases: an opportunity for open source drug discovery 10:20 am Coffee Break Scientific Session Chair: Jonathan Baell ❖ Monash University ❖ Australia

10:35 am • Whole organism HTS against Trypanosoma brucei and hit‐ Jonathan Baell ❖ Monash University ❖ Australia to‐lead medicinal chemistry 11:00 am • Towards accelerated anti-cancer drug discovery: György Dormán ❖ TargetEx ❖ Hungary Integration of library design, cell/target‐based screening, and in silico/in vitro target profiling 11:25 am • Azido-type selective reactions promoting chemical biology Takamitsu Hosoya ❖ Tokyo Medical and Dental University ❖ Japan

Scientific Session Chair: Session III: Highlights of Chemical Biology Techniques Yuhong Du ❖ Emory University ❖ US

11:40 am • A small molecule based system to modulate the cellular Devin Noblin ❖ Yale University ❖ US levels of any protein fused to HaloTag • Development of various functional molecules based on Tomoya Hirano ❖ Tokyo Medical and Dental University ❖ Japan hydrophobic and fluorescent scaffolds • Combined rational design and HTS in identifying inhibitors Chris R. Evelyn ❖ Cincinnati Children’s Hospital Medical Center ❖ US for Ras guanine nucleotide exchange factor, SOS

4 ICBS | www.chemical-biology.org ICBS 2012 Conference: Explore New Frontiers, Foster Global Collaborations Oct. 4-5, 2012

12:10 pm Lunch Break Scientific Session Chair: Session IV: Natural products as chemical tools and leads Lixin Zhang ❖ Chinese Academy of Sciences ❖ China

1:30 pm • Exploiting multidrug resistance gene expression for effective Lixin Zhang ❖ Chinese Academy of Sciences ❖ China antifungal strategies by a natural product berberine

1:55 pm • Approaching synthetic microbiology to harness the metabolic Zixin Deng ❖ Jiaotong University ❖ China power for novel and improved antibiotics

2:20 pm • Phytochemistry, anti‐proliferative and radical scavenging Wajaht Amin Shah ❖ University of Kashmir ❖ India activity of Picea smithiana (Wall) boiss oil

2:35 pm Coffee Break Scientific Session Chair: Session V: Highly innovative cheminformatics and computational Petr Bartunek ❖ Institute of Molecular Genetics ❖ CZ approaches

2:50 pm • A critical view on the use of chemical probes Jordi Mestres ❖ Research Unit on Biomedical Informatics (GRIB) of IMIM/UPF ❖ Spain

3:15 pm • Chemoinformatics meets chemical biology Jürgen Bajorath ❖ University of Bonn ❖ Germany

3:40 pm • Large‐scale prediction and testing of drug activity on side‐ Eugen Lounkine ❖ Novartis Institutes for Biomedical Research ❖ US effect targets

4:05 pm • Structure‐based computational design and characterization Samy Meroueh ❖ Indiana University ❖ US of small molecules targeting protein interactions in cancer

4:20 pm Keynote Lecture: Stuart Schreiber ❖ Howard Hughes Medical Institute and Broad Cancer genetic dependencies targeted by small molecules Institute of Harvard and MIT ❖ US

5:00 pm Social Mixer and Poster Session 7:00 pm Business Meeting – International Chemical Biology Society Rathnam Chaguturu, Founding President Mel Reichman, Chair of BOD

ICBS - Friday, October 5, 2012

7:30 am Registration 8:20 am Keynote Lecture: Lewis Cantley ❖ Harvard Medical School ❖ US Targeting Cancer Metabolism

Scientific Session Chair: Session VI: Chemical biology to accelerate transitional medicine Leonard Zon ❖ Harvard Medical School ❖ US

9:00 am • The role of biomarkers in drug discovery and development Jon Mirsalis ❖ SRI International ❖ US

9:25 am • Envisioning a path to the future: The perfect marriage Litao Zhang ❖ Bristol-Myers Squibb ❖ US between chemical biology and novel technology platforms for translation research 9:50 am • Predicting drug response, signal addictions and drug Krister Wennerberg ❖ Institute for Molecular Medicine Finland ❖ resistan