Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
Our high-tech, dedicated method is applied to construct targeted 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
P29372
UPID:
3MG_HUMAN
Alternative names:
3-alkyladenine DNA glycosylase; 3-methyladenine DNA glycosidase; ADPG; N-methylpurine-DNA glycosylase
Alternative UPACC:
P29372; G5E9E2; Q13770; Q15275; Q15961; Q5J9I4; Q96BZ6; Q96S33; Q9NNX5
Background:
DNA-3-methyladenine glycosylase, known by alternative names such as 3-alkyladenine DNA glycosylase and N-methylpurine-DNA glycosylase, plays a crucial role in DNA repair. It specifically targets and hydrolyzes the deoxyribose N-glycosidic bond to excise 3-methyladenine and 7-methylguanine, which are alkylation lesions on the DNA polymer. This process is vital for maintaining the integrity of the genetic material.
Therapeutic significance:
Understanding the role of DNA-3-methyladenine glycosylase could open doors to potential therapeutic strategies. Its pivotal function in DNA repair mechanisms positions it as a key target for interventions in diseases where DNA damage is a contributing factor.