We are developing small molecule inhibitor for CCR7. Previously we performed virtual screening of compounds using SeeSAR and autodock vina to dock them into CCR7 3D structure. Next 3 best performing compounds were synthesized and demonstrated biological activity in vitro. Next step is hit to lead optimization for which we need structure based medicinal chemistry approach.
Yaroslav intends to achieve the following milestones:
- In vitro validation of first iteration of hit to lead optimized compound (designed with SeeSAR)
- In vitro validation of second iteration of hit to lead optimized compound (designed with SeeSAR)
- In vitro validation of third iteration of hit to lead optimized compound (designed with SeeSAR)