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 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O43593
UPID:
HAIR_HUMAN
Alternative names:
[histone H3]-dimethyl-L-lysine(9) demethylase hairless
Alternative UPACC:
O43593; Q6GS30; Q96H33; Q9NPE1
Background:
The Lysine-specific demethylase hairless, known alternatively as [histone H3]-dimethyl-L-lysine(9) demethylase hairless, plays a pivotal role in histone modification. It specifically targets the demethylation of mono- and dimethylated 'Lys-9' of histone H3, influencing transcription regulation, hair biology, neural activity, and cell cycle.
Therapeutic significance:
Linked to diseases such as Alopecia universalis congenita, Atrichia with papular lesions, and Hypotrichosis 4, understanding the role of Lysine-specific demethylase hairless could open doors to potential therapeutic strategies for these hair loss disorders.