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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused 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
Q9Y285
UPID:
SYFA_HUMAN
Alternative names:
CML33; Phenylalanyl-tRNA synthetase alpha subunit
Alternative UPACC:
Q9Y285; B4E363; Q9NSD8; Q9Y4W8
Background:
The Phenylalanine--tRNA ligase alpha subunit, also known by its alternative names CML33 and Phenylalanyl-tRNA synthetase alpha subunit, plays a crucial role in protein synthesis. It is responsible for the ligation of phenylalanine to its corresponding tRNA, a fundamental process in the translation of genetic information into functional proteins.
Therapeutic significance:
Linked to Rajab interstitial lung disease with brain calcifications 2, a disorder characterized by lung disease, growth delay, and brain abnormalities, the Phenylalanine--tRNA ligase alpha subunit's study could lead to novel therapeutic approaches for this and potentially other related conditions.