Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised 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
Q9NQX0
UPID:
PRDM6_HUMAN
Alternative names:
PR domain zinc finger protein 6; PR domain-containing protein 6
Alternative UPACC:
Q9NQX0; B5MCJ4; Q9NQW9
Background:
Putative histone-lysine N-methyltransferase PRDM6, also known as PR domain zinc finger protein 6, plays a crucial role in vascular smooth muscle cells by promoting their transition from a differentiated state to a proliferative one. It acts as a transcriptional repressor, influencing smooth muscle gene expression and endothelial cell functions by inhibiting proliferation, survival, and differentiation. The protein's ability to methylate 'Lys-20' of histone H4, marking it for epigenetic transcriptional repression, is a subject of scientific debate.
Therapeutic significance:
PRDM6's involvement in Patent ductus arteriosus 3, a congenital heart defect, underscores its potential as a target for therapeutic intervention. Understanding the role of PRDM6 could open doors to potential therapeutic strategies for cardiovascular diseases.