Hello Moonshot Forum Community @trust_level_0,
We’ve made some major changes to the site to make life easier for you designers, so I thought we should let you know!
One thing we noticed is that is hard for others to understand the ease of synthesis of their compounds. Therefore, we built https://postera.ai/manifold in order to help help us make and order compounds quickly with much less menial work.
You can easily search billions of molecules, and it will help you find the best building blocks for quick syntheses of compounds like your Moonshot designs. In this way, it also helps you design with ease of synthesis in mind.
As an example of the Moonshot integration, take for example this design from @pwkenny, PET-UNK-b75fdf9f-1
Simply clicking on the “Check Availability on Manifold” page will take you to a page such as https://postera.ai/manifold/31884982-68c9-4d7b-807c-7d389a5ce480/0/ showing a lot of info including Building Blocks useful for synthesis
It is really helpful to us if you design things with ease of synthesis in mind. We can always run more complicated molecules through our more advanced internal tools to find routes, but eventually someone has to make the compound – and they surely appreciate easier syntheses! And we appreciate getting data back faster and cheaper.
Obviously, the tool is free and open for use on any drug discovery project if you find it useful!
We also love to hear your feedback such as feature requests or errors you spot in our Manifold specific forum at https://discuss.postera.ai/c/manifold/16. We are constantly updating the site to make it easier for you to use! And if you have trouble using the site – just let me know on the forum or by email at manifold@postera.ai
In other news
Just yesterday, the members of Diamond released over 30 new crystal structures which can be viewed at https://fragalysis.diamond.ac.uk/viewer/react/preview/target/Mpro or you can also get there through https://postera.ai/covid/structures
If you haven’t checked the https://postera.ai/covid/activity_data page lately, there has been some exciting progress as we get down to the ~100-150 nM MPro activity range in a couple different series. You should definitely have a look!
We are just waiting on a final cleaning up of the antiviral data, and then we can also release that data to the community soon!
Additionally hinting forward to a possible new design challenge, finding good potential replacements for the beta-lactam group in ALP-POS-3b848b35-2 has been somewhat challenging. Any good design ideas are always welcomed.
All the best,
Matt – and the rest of the PostEra and Moonshot teams