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Structure-based drug design

Client:
Astra Zeneca Research Foundation

Challenge:
AstraZeneca, one of the world's leading pharmaceutical company wanted to identify leads for target protein, Dihydropicolinate reductase (DHPR), from Mycobacterium tuberculosis.


Strand's Solution:
Active Site Detection and Screening identified 94 hits from a database of approximately 70,000 drug-like molecules. These molecules were prioritized using docking and free energy scoring.

 

To validate the molecules for docking and scoring, it was observed that the top ranked molecules were identified as potent inhibitors of DHPR in studies by Merck Research Labs.