Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 use our state-of-the-art dedicated workflow for designing 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q03112
UPID:
MECOM_HUMAN
Alternative names:
Ecotropic virus integration site 1 protein homolog; MDS1 and EVI1 complex locus protein; Myelodysplasia syndrome 1 protein; Myelodysplasia syndrome-associated protein 1
Alternative UPACC:
Q03112; A1L4F3; A8KA00; B7Z8W7; B7ZLQ3; B7ZLQ4; C9JAK0; D3DNP7; E7EQ57; Q13465; Q13466; Q16122; Q5HYI1; Q6FH90; Q6MZS6; Q8NEI5; Q99917
Background:
Histone-lysine N-methyltransferase MECOM, also known as Ecotropic virus integration site 1 protein homolog, plays a pivotal role in transcriptional regulation, cell proliferation, differentiation, and apoptosis. It functions by binding to DNA sequences in the promoter regions of target genes, either enhancing or repressing their expression. MECOM is also involved in hematopoiesis and exhibits histone methyltransferase activity, specifically monomethylating 'Lys-9' of histone H3.
Therapeutic significance:
MECOM's involvement in Radioulnar synostosis with amegakaryocytic thrombocytopenia 2, a disease characterized by forearm malformation and blood cell production issues, highlights its potential as a target for therapeutic intervention. Understanding the role of MECOM could open doors to potential therapeutic strategies.