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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
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.