Direction to Salk Pavilion is shown in campusmap0607 (UPITT campus) Salk Pavillion

Monday, August 8, 2016 – Morning Session

7:30 – 8:10 am               Onsite Registration & Poster Set up (Salk Pavilion, Commons) (Light refreshments will be served.)

8:10 – 8:15 am               Welcome by Dr. Xiang-Qun (Sean) Xie, CDAR Center Director

(Salk Room456)               Opening Remarks by Dr. Arthur Levine, Senior Vice Chancellor for the Health Sciences, John and Gertrude Petersen Dean, School of Medicine

8:15 am – Noon          Scientific Research Innovation (Invited Speakers) (Salk Room456)            

8:15 – 8:55 am               “Control the Deactivation of Cannabinergic Compounds “

alexandrosby Dr. Alexandros Makriyannis, Professor,

George D. Behrakis Endowed Chair,

Director of the Center for Drug Discovery,

Northeastern University (35 + 5 min Q/A)


8:55 – 9:35 am               “Statistical Thinking and Bayesian Thinking in Neuroscience”

robertby Dr. Robert E. Kass, Maurice Falk Professor of Statistics and Computational Neuroscience,

Interim Co-Director, Center for the Neural Basis of Cognition,

Carnegie Mellon University

(35 + 5 min Q/A)


9:35 – 10:15 am             “Quantitative Systems Pharmacology (QSP) for Knowledge Integration and Hypothesis Generation in Pharmaceutical R&D”

tarekby Dr. Tarek A. Leil, Group Director – Quantitative Clinical Pharmacology,

Clinical Pharmacology & Pharmacometrics – Exploratory Clinical and Translational Research (ECTR),

Bristol-Meyers Squibb

(35 + 5 min Q/A)


10:15 – 10:30 am           Break (15 min)

(Chairperson: Dr. Ivet Bahar)

10:30 – 11:10 am       “Mining LINCS Big Data to Knowledge”

Aviby Dr. Avi Ma’ayan, Professor, Department of Pharmacology and Systems Therapeutics,

Director of the Mount Sinai Center for Bioinformatics,

Icahn Medical Institute

(35 + 5 min Q/A)



11:10 – Noon                 Keynote Presentation – “Translational Data Science at Merck”

Christopher L. Waller, PhDby Dr. Christopher Waller,

Executive Director of MRLIT Modeling Platforms and CORE at Merck

(45 + 5 min Q/A)



Noon – 1:00 pm              Lunch & Poster Presentations (Salk Pavilion, Commons)

Monday, August 8, 2016 – Afternoon Session (Salk Room 456)

1:00 – 1:15 pm               “UPMC’s Big Data Initiative

Stevenby Dr. Steven D. Shapiro, Executive Vice President,

UPMC Chief Medical and Scientific Officer

President, Health Services Division (10 + 5 min Q/A)



1:15 – 1:45 pm               Special Talk – “NIDA’s Basic Chemistry Research and Translational Areas of Interest”


by Dr. Rao Rapaka,

Branch Chief of NIH NIDA

(25 + 5 min Q/A)



 1:45 – 3:30 pm            CDAR Core Research Reports (Salk Room 456)


1:45 – 2:20 pm               “Disease-Specific Chemogenomics Knowledgebases and TargetHunter© for Drug Abuse and Neurodisorder Research and System Pharmacology”

Xiang-Qun (Sean) Xieby Dr. Xiang-Qun (Sean) Xie (Core A), Professor and Associate Dean,

Department of Pharmaceutical Sciences & Drug Discovery Institute,

Director of CDAR Center

(25 + 10 min Q/A)


2:20 – 2:55 pm               “Insights into the Molecular Mechanisms of Function of Neurotransmitter Transporters and Ionotropic Glutamate Receptors”

Ivet Baharby Dr. Ivet Bahar (Core B), Distinguished Professor & JK Vries Chair

Department of Computational & Systems Biology,

Associate Director of University of Pittsburgh Drug Discovery Institute

(25 + 10 min Q/A)


2:55 – 3:30 pm                “Toward Personalized Pan-Omic Association Analysis under Complex Structures

Eric Xingby Dr.Eric Xing (Core C), Professor,

Machine Learning Department & Language Technology Institute & Computer Science department,

Director of Center for Machine Learning and Health, Carnegie Mellon University

(25 + 10 min Q/A)


3:30 – 4:00 pm            Coffee break & Poster session, Group photo (Salk Pavilion, Commons)

                                       Poster Evaluation


4:00 – 6:00 pm            Funded Research Projects (FRP) & Pilot Project Reports (Salk Room 456)

4:00 – 4:20 pm                 Targeting Cannabinoid Receptor-2 to Reduce Renal Fibrosis, by Dr. Youhua Liu, Professor, Department of Pathology, University of Pittsburgh (15 + 5 min Q/A)

4:20 – 4:40 pm                b2-Adrenergic Receptor Responses and Asthma:   Modulation through Protein-Lipid Interactions by Dr. Sally E. Wenzel, Professor of Medicine & Director of University of Pittsburgh Asthma Institute @ UPMC/UPSOM (15 + 5 min Q/A)

4:40 – 5:00 pm                “New strategies to manage opioid addiction and pain”, by Dr. Manojkumar Puthenveedu, Associate Professor, Biological Sciences and The Center for the Neural Basis of Cognition, Carnegie Mellon University (15 + 5 min Q/A)

5:00 – 5:10 pm                AB vs. ADB: One Methyl Makes a Large Difference, by Joshua Yohannan, MS, Laboratory Manager of The Allegheny County Medical Examiner’s Office (8 + 2 min Q/A)

5:10 – 5:20 pm               Defining the Higher Order Structures of  GPCR Signaling Complexes for Drug Discovery”, by Dr. Kevin Xiao, Associate Professor, Department of Pharmacology and Chemical Biology, University of Pittsburgh (8 + 2 min Q/A)

5:20 – 5:30 pm               “Do the behavioral effects of dopamine transporter (DAT) inhibitors correlate with DAT conformation preference?” by Dr. Christopher K. Surratt, Professor of Pharmacology, Mylan School of Pharmacy, Duquesne University (8 + 2 min Q/A)

5:30 – 6:00 pm               Training, Dissemination and Administration

****Graduate Student Poster Awards****

6:00 pm                          Meeting Adjourned until Tuesday

6:00 – 8:30 pm               Dinner (External Advisory Board Members, CDAR Leaders, Pitt/CMU Admins)

(Salk Pavilion, CVS Conference Room)


Tuesday, August 9, 2016

7:30 – 8:00 am              Breakfast & Poster

8:00 – 10:00 am            Poster Session (Salk Pavilion, Commons)

9:00 – 12:00 noon          Business Meetings (Salk Pavilion, CVS Conference Room)

9:00 – 10:00 am                         Meeting of EAB members only

10:00 – 11:00 am                       Meeting of EAB members with the CDAR Leadership

11:00 – Noon                              EAB members only, wrap up/write the summary report

12:00 – 1:30 pm            Concluding Remarks & Boxed Lunch

Training Workshop for Registered Attendees (BST3, Room 3073**) 

1:30 – 3:00 pm              Core A Training (30 minute lecture and 1 hour demo & practice)

Training topics:

(1) Chemogenomics Database for Drug Abuse & Neuro-disorders: Genes, protein targets, pathways involved in a disease and small molecules that can directly interact with these key proteins with the potential to modulate the disease.

(2) TargetHunerMap: To predict the potential protein target(s) of a small molecule drug or a chemical compound through structure similarity or molecular docking.

(3) BBB prediction: To predict the blood-brain barrier (BBB) permeability of a small molecule based on its chemical features.

3:00 – 4:30 pm                 Core B Training (30 minute lecture and 1 hour demo & practice)

Training topics:

(1) ANM (Anisotropic network model): an elastic network based tool for analysis of dynamics of proteins and nucleic acids.

(2) ProDy: a free and open-source Python package for protein structural dynamics and sequence analysis.

(3)Druggability simulations: the use of DRUGUI, a VMD plugin, for performing MD simulations for druggability assessment, using probe molecules.

4:30 – 6:00 pm                 Core C Training (30 minute lecture and 1 hour demo & practice)

Training topic:

GenAMap: GenAMap software is a powerful platform for detection and easy visualization of structured association of genomic data and physical traits.

**Please note, BST3 is a high security building. We will need to go together as a group so that no one is inadvertently left out.

Second Annual Meeting of National Center of Excellence for Computational Drug Abuse Research (CDAR): August 8 – 9, 2016