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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y6X9
UPID:
MORC2_HUMAN
Alternative names:
MORC family CW-type zinc finger protein 2; Zinc finger CW-type coiled-coil domain protein 1
Alternative UPACC:
Q9Y6X9; B2RNB1; Q9UF28; Q9Y6V2
Background:
ATPase MORC2, known for its roles in epigenetic silencing and DNA damage response, is essential in the HUSH complex. It represses genes and L1 retrotransposons via H3K9me3 mark, and its ATPase activity, enhanced by PAK1 phosphorylation, is crucial for chromatin remodeling.
Therapeutic significance:
Linked to Charcot-Marie-Tooth disease, axonal, 2Z, and developmental delay with axonal neuropathy, understanding MORC2's function could unveil new therapeutic avenues.