Molecular Modeling

9.1.9分子建模与合成化学共享服务

9.1.9 MOLECULAR MODELING AND SYNTHETIC CHEMISTRY SHARED SERVICE The MMSC Shared Service is a new shared service created by fusion of the former Molecular Modeling Shared Service (MMSS) and the former Synthetic Chemistry Shared Service (SCSS). This reorganization is driven by the synergy that has arisen between these shared services during the past five years, and by the belief that stronger administrative and scientific ties between the involved personnel will benefit members of the AZCC. The mission of the Molecular Modeling and Synthetic Chemistry (MMSC) Shared Service is to provide consultation, molecular modeling support for the development of new anticancer compounds, custom syntheses of chemical compounds, and structure identification to AZCC investigators. The MMSC Shared Service offers the following: ¿ Expertise in structure-based design techniques ¿ Access to pharmacophore-based modeling, identification, and virtual screening techniques ¿ Consultation with AZCC investigators on problems in chemical synthesis and modification ¿ Custom chemical synthesis of unlabeled compounds ¿ Custom synthesis of stable isotope or radioisotope labeled compounds (presently, radioisotope synthesis is limited to tritium, carbon-14, and sulfur-35) ¿ Assistance in the spectroscopic characterization of unknown compounds The MMSC Shared Service is currently collaborating on the development of Gd-based MRI agents. The involved personnel meet regularly with the principal investigator to discuss the project. It is expected that similar involvement of the MMSC Shared Service will enhance other AZCC projects in the coming years. To drive this type of use, MMSC Shared Service personnel will offer to visit AZCC investigators' group meetings to explain the function and capabilities of the MMSC Shared Service and to share our successes.