Docking of absolutely selective CB-2 receptor agonists. Binding energy reached -11 kcal/mol!

Molecular docking of absolutely selective CB-2 receptor agonists is complete. The binding energy reached -11 kcal/mol! Molecular docking of CB-2 selective agonists has been completed. Compact structures with -10 kcal/mol and -11 kcal/mol affinities were identified, which are virtually inert in the CB-1 receptor pocket, as well as with a significant decrease in affinity in CB-1 to -8.7kcal/mol. This looks amazing; I spent a lot of time on this project. There are virtually no similar drugs on the market. Preliminary results indicate 100% selectivity and non-extreme classical agonism. This holds great promise for applications such as inflammation, cancer, pain, and more. Also among the docked structures are conditionally selective structures(-12 kcal/mol, -14 kcal/mol), the selectivity of which is more difficult to assess and requires simulation with dynamic visualization of helical turns to determine agonism based on the protein&willingness to accept the G protein. These structures have even higher affinity and are extremely simple and easy to synthesize. But it&worth noting that these structures are completely unlike terpene cannabinoids and synthetic agonists. They have a completely different geometry, a different binding mode, a different approach to construction. My path to these structures was the longest. These structures are absolutely unique; they aren&substituted indoles or heterochemistry; these are structures that have been sought for decades. And I can&publish...