Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UIF7
UPID:
MUTYH_HUMAN
Alternative names:
MutY homolog
Alternative UPACC:
Q9UIF7; D3DPZ4; Q15830; Q9UBP2; Q9UBS7; Q9UIF4; Q9UIF5; Q9UIF6
Background:
Adenine DNA glycosylase, also known as MutY homolog, plays a crucial role in oxidative DNA damage repair. It initiates the repair of A*oxoG to C*G by removing the inappropriately paired adenine base, showcasing adenine and 2-OH-A DNA glycosylase activities.
Therapeutic significance:
Linked to diseases like Familial adenomatous polyposis 2 and Gastric cancer, understanding the role of Adenine DNA glycosylase could pave the way for novel therapeutic strategies targeting these conditions.