Bench to Bedside: Chemistry of Health Care

De Novo Drug Design (#28)

Successful drug discovery pipelines are fuelled by constant innovation. New chemical entities (NCEs) are urgently sought for to combat threats of public health, and specifically the many rare, neglected and pandemic diseases. De novo molecular design provides a unique and cost-efficient access to all kinds of NCEs with advantageous biochemical and pharmacological properties. Within very short timeframes this scientific concept has already led to the discovery of novel, patentable drug candidates.

The symposium provides a forum to showcase the latest trends and future perspectives of applied computer-assisted molecular design. A special focus will be on technological and conceptual advances in automated drug design that allow for the consideration of polypharmacology effects, multi-dimensional structure-activity relationships, novel machine-learning approaches, data visualization, and aspects of systems biology for the development of future personalized medicines.

By bringing together leading experts from chemistry, the life sciences, and molecular informatics, innovative solutions to technological problems shall be presented and discussed in a transdisciplinary setting. The symposium is intended to stimulate the participating audience by providing fresh views on the integrative design, synthesis and experimental validation of pharmacologically active agents that may help overcome stalled drug discovery and enable the identification of more effective and safer drug candidates.
Last update: Dec 28, 2015