Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O95363
UPID:
SYFM_HUMAN
Alternative names:
Phenylalanyl-tRNA synthetase
Alternative UPACC:
O95363; B2R664; Q53F66; Q5TCS3; Q6FG29; Q9NPY7; Q9P062
Background:
Phenylalanine--tRNA ligase, mitochondrial, also known as Phenylalanyl-tRNA synthetase, plays a crucial role in mitochondrial translation by charging tRNA(Phe) with phenylalanine. It also facilitates the attachment of m-Tyr to tRNA(Phe), integrating ROS-damaged amino acids into proteins.
Therapeutic significance:
Linked to Combined oxidative phosphorylation deficiency 14 and Spastic paraplegia 77, autosomal recessive, this protein's dysfunction underscores its potential as a target for therapeutic intervention in these mitochondrial disorders.