Functional Optimization and Synthesis of Natural Products

The main objective of this project is the design and development of a scalable route towards novel lead compounds identified by this consortium, subsequent functional optimization of natural products by chemical synthesis (hit to lead transition), and synthesis of a larger amount of the lead compound for downstream studies.

Approach:

(1) The PhD student will design and develop a chemical route towards hit compounds by using state-of-the art databases, machine learning using both commercial and open access tools, and swarm intelligence methods.

(2) The PhD student will establish structure activity relationship studies, facilitating the hit to lead transition, which will be aided by computational design if possible and evaluated by biological assays. Feedback from these partners will enhance the design and the performance of the newly synthesized compounds in the hit to lead transition.

(3) The PhD student will prepare a larger amount of the lead compound for downstream ADMET/Tox studies.