Hands-On Workshop: Cheminformatics

Location: CBRi Facility, Burnaby, BC
BCIT-Burnaby Campus
GAIT Bldg. NE25, Rm. 304
MAP

Workshop Leader:
Dr. Oreola Donini, Director of Chemistry, Inimex Pharmaceuticals Inc.

About the Workshop:
This hands-on workshop will introduce participants to the principles and practices of cheminformatics in drug discovery. The workshop uses a combination of lectures and hands-on computer lab sessions, and participants will be able to choose from four structured problems (i.e. ADME assessment of small molecules, pharmacophore analysis, docking and virtual screening, and library design). Participants are encouraged to bring problems of their own to begin exploring with the available software. Upon completion of the workshop, participants will be able to apply information technology for investigating new problems and also for organizing scientific data in order to develop novel compounds, materials, and processes.

About the Instructor:
Dr. Oreola Donini is an expert Chemist, and is currently Director of Chemistry at Inimex Pharmaceuticals Inc. She plays a key role in managing lead optimization activities for Inimex' drug development programs, and is responsible for all chemistry and informatics activities within the company. Dr. Donini's experience in molecular modeling and cheminformatics includes: modeling of voltage gated ion channels, QM/MM calculations of the reaction mechanisms of citrate synthase, investigation of matrix metalloproteinase inhibitors, pharmacphore modeling, design of novel libraries for high throughput screening, quantitative structure-activity (property) relationships, and receptor driven design of novel compounds for kinase inhibition.

Who Can Benefit?