Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8IYB1
UPID:
M21D2_HUMAN
Alternative names:
Mab-21 domain-containing protein 2
Alternative UPACC:
Q8IYB1; Q86VD8
Background:
Nucleotidyltransferase MB21D2, also known as Mab-21 domain-containing protein 2, plays a crucial role in cellular signaling. This enzyme is a probable nucleotidyltransferase that catalyzes the formation of cyclic dinucleotide second messengers in response to stimuli, pivotal for cellular communication and response mechanisms.
Therapeutic significance:
Understanding the role of Nucleotidyltransferase MB21D2 could open doors to potential therapeutic strategies. Its involvement in the synthesis of second messengers highlights its importance in cellular processes and disease mechanisms.