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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H7B4
UPID:
SMYD3_HUMAN
Alternative names:
SET and MYND domain-containing protein 3; Zinc finger MYND domain-containing protein 1
Alternative UPACC:
Q9H7B4; A8K0P0; B1AN38; Q86TL8; Q8N5Z6; Q96AI5
Background:
Histone-lysine N-methyltransferase SMYD3, known for its roles in epigenetic regulation, specifically methylates 'Lys-4' of histone H3 and 'Lys-5' of histone H4, crucial for transcriptional activation. It is part of an RNA polymerase complex and binds specific DNA sequences, highlighting its precision in gene regulation.
Therapeutic significance:
Understanding the role of Histone-lysine N-methyltransferase SMYD3 could open doors to potential therapeutic strategies. Its precise function in gene regulation makes it a promising target for modulating gene expression in various diseases.