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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P12081
UPID:
HARS1_HUMAN
Alternative names:
Histidyl-tRNA synthetase
Alternative UPACC:
P12081; B4DHQ1; B4DY73; D6REN6; J3KNE5
Background:
Histidine--tRNA ligase, cytoplasmic, also known as Histidyl-tRNA synthetase, plays a crucial role in protein synthesis by catalyzing the ATP-dependent ligation of histidine to its cognate tRNA. This process is vital for the accurate translation of mRNA into protein. Additionally, this enzyme has been implicated in axon guidance, highlighting its importance in neural development.
Therapeutic significance:
Histidine--tRNA ligase, cytoplasmic, is linked to Usher syndrome 3B, characterized by progressive vision and hearing loss, and Charcot-Marie-Tooth disease, axonal, 2W, a peripheral neuropathy. Understanding the enzyme's role in these diseases could lead to novel therapeutic strategies targeting its function or pathway.