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.
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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q86VU5
UPID:
CMTD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q86VU5; Q8TE79
Background:
Catechol O-methyltransferase domain-containing protein 1, identified by the accession number Q86VU5, is characterized as a putative O-methyltransferase. This protein plays a crucial role in the methylation process, a biochemical reaction essential for a wide range of biological functions including the metabolism of catecholamines, which are vital for neurotransmission.
Therapeutic significance:
Understanding the role of Catechol O-methyltransferase domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in the methylation of catecholamines suggests a significant impact on neurological processes, making it a potential target for treating disorders related to neurotransmitter imbalances.