Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O43897
UPID:
TLL1_HUMAN
Alternative names:
-
Alternative UPACC:
O43897; B2RMU2; Q96AN3; Q9NQS4
Background:
Tolloid-like protein 1, encoded by the gene with accession number O43897, plays a crucial role in embryonic development. It acts as a protease, processing procollagen C-propeptides and influencing dorsal-ventral patterning and skeletogenesis. Its activity is essential for the proper formation of various structural components in the body.
Therapeutic significance:
The involvement of Tolloid-like protein 1 in Atrial septal defect 6, a congenital heart malformation, underscores its potential as a target for therapeutic intervention. Understanding the role of Tolloid-like protein 1 could open doors to potential therapeutic strategies for this and possibly other related conditions.