Host: Core A (Dr. Sean Xie group), CVS Conference Room, School of Pharmacy, UPitt
Research Progress Update/Demonstration:
Yan Zhang (master student) gave a talk titled as “Modeling Simulation on Cannabinoid Receptor CB2 Signaling Pathway via Desensitization and Resensitization” Yan Zhang integrated several models, including the previously reported cubic ternary complex (CTC) model with new component updated for the CB2 desensitization and resensitization kinetics.
Dr. Zhiwei Feng (Research Associate) gave a talk titled as “Computer Modeling of 3D Structures of Cannabinoid Receptor Subtype CB2 activated through G-protein Coupling Process” Dr. Feng presented the work on the influence of agonist and inverse agonist on the inactive and active state of CB2 from conformation to drug discovery. Dr. Feng also talked about the γ-secretase project for identifying the binding pocket with the DruGui program developed by Dr. Bahar’s group. γ-secretase is a potential target for Alzheimer’s disease.
Invited speaker: Dr. Peng Yang, Assistant Professor and F/P project investigator. Dr. Yang gave a talk titled as “Design and Synthesis of Novel Cannabinoid Receptor CB2 probes for potential treatment”. CB2 ligands have brighter future because of less CNS side effects. Pharmacophore model and docking were used to screen chemical database, and to identify hits validated by bioassays. Chemical modifications and possible off-target searching were performed to explore the chemogenomics space. Evaluation of therapeutic index, physical properties, and PK/PD on the active compounds was conducted to confirm their druggable properties.
CDAR Scientific Committee Meeting (Xie, Bahar, Wu, Wang)
(1)Dr. Xie suggested that we should work on collaborative publications and Dr. Bahar suggested a review paper. An example is here. https://jamia.oxfordjournals.org/content/22/6/1132.full
(2)Dr. Wu’s group is working on the gene expression data(time series) from mouse after the administration of abused drugs, which could be a collaborative project.
(3) Dr. Bahar suggested a new P/F collaborator Cheng (Kevin) Zhang who is working on GPCR research and we will invite him to give a talk on next meeting.