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.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96Q83
UPID:
ALKB3_HUMAN
Alternative names:
Alkylated DNA repair protein alkB homolog 3; DEPC-1; Prostate cancer antigen 1
Alternative UPACC:
Q96Q83; A6NDJ1; Q3SYI0; Q6NX57; Q96BU8
Background:
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, also known as Alkylated DNA repair protein alkB homolog 3, DEPC-1, and Prostate cancer antigen 1, plays a crucial role in the repair of alkylated DNA by mediating the demethylation of DNA and RNA containing 1-methyladenosine and 3-methylcytosine. It shows a strong preference for single-stranded DNA and can also act on RNA, demethylating N(1)-methyladenosine in messenger RNAs.
Therapeutic significance:
Understanding the role of Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 could open doors to potential therapeutic strategies.