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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O14744
UPID:
ANM5_HUMAN
Alternative names:
72 kDa ICln-binding protein; Histone-arginine N-methyltransferase PRMT5; Jak-binding protein 1; Shk1 kinase-binding protein 1 homolog
Alternative UPACC:
O14744; A8MTP3; A8MZ91; B4DX49; B4DY30; B5BU10; D3DS33; E2QRE7; Q6IBR1; Q9UKH1
Background:
Protein arginine N-methyltransferase 5 (PRMT5) is a versatile enzyme, catalyzing the methylation of arginine residues on various substrates, including histones, signaling proteins, and ribonucleoproteins. Its activity influences cellular processes such as signal transduction, transcriptional regulation, and RNA splicing. PRMT5's ability to modify histones and affect gene expression positions it as a key player in epigenetic regulation.
Therapeutic significance:
Understanding the role of Protein arginine N-methyltransferase 5 could open doors to potential therapeutic strategies. Its involvement in crucial cellular processes and epigenetic regulation makes it a promising target for drug discovery efforts aimed at treating diseases with underlying epigenetic or signaling dysregulation.