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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y4C1
UPID:
KDM3A_HUMAN
Alternative names:
JmjC domain-containing histone demethylation protein 2A; Jumonji domain-containing protein 1A; [histone H3]-dimethyl-L-lysine(9) demethylase 3A
Alternative UPACC:
Q9Y4C1; D6W5M3; Q53S72; Q68D47; Q68UT9; Q6N050; Q8IY08
Background:
Lysine-specific demethylase 3A, known by its aliases JmjC domain-containing histone demethylation protein 2A and Jumonji domain-containing protein 1A, plays a pivotal role in the histone code by specifically demethylating 'Lys-9' of histone H3. This action is crucial for the regulation of gene expression, impacting processes from hormone-dependent transcriptional activation to spermatogenesis and metabolic gene regulation.
Therapeutic significance:
Understanding the role of Lysine-specific demethylase 3A could open doors to potential therapeutic strategies, particularly in the realms of reproductive health and metabolic disorders.