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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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
P29375
UPID:
KDM5A_HUMAN
Alternative names:
Histone demethylase JARID1A; Jumonji/ARID domain-containing protein 1A; Retinoblastoma-binding protein 2; [histone H3]-trimethyl-L-lysine(4) demethylase 5A
Alternative UPACC:
P29375; A8MV76; Q4LE72; Q86XZ1
Background:
Lysine-specific demethylase 5A, known as Histone demethylase JARID1A, plays a pivotal role in histone code by specifically demethylating 'Lys-4' of histone H3. It is crucial in regulating gene transcription, including Hox proteins during cell differentiation, and participates in the circadian rhythm regulation by acting as a coactivator of CLOCK-BMAL1-mediated transcription.
Therapeutic significance:
Understanding the role of Lysine-specific demethylase 5A could open doors to potential therapeutic strategies.