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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q3KRA9
UPID:
ALKB6_HUMAN
Alternative names:
Alkylated DNA repair protein alkB homolog 6
Alternative UPACC:
Q3KRA9; A5LGM8; A6NLP1; A8MU96
Background:
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 6, also known as an Alkylated DNA repair protein alkB homolog 6, plays a crucial role as a probable dioxygenase. This enzyme necessitates molecular oxygen, alpha-ketoglutarate, and iron to function, indicating its involvement in vital biochemical pathways.
Therapeutic significance:
Understanding the role of Alpha-ketoglutarate-dependent dioxygenase alkB homolog 6 could open doors to potential therapeutic strategies. Its unique requirement for specific molecules to operate suggests a targeted approach in drug discovery could leverage its biochemical activities for therapeutic benefits.