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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O60341
UPID:
KDM1A_HUMAN
Alternative names:
BRAF35-HDAC complex protein BHC110; Flavin-containing amine oxidase domain-containing protein 2; [histone H3]-dimethyl-L-lysine(4) FAD-dependent demethylase 1A
Alternative UPACC:
O60341; A8MWP9; Q5TH94; Q5TH95; Q86VT7; Q8IXK4; Q8NDP6; Q8TAZ3; Q96AW4
Background:
Lysine-specific histone demethylase 1A (KDM1A) plays a pivotal role in chromatin remodeling, influencing both gene activation and repression through its ability to demethylate lysine residues on histone H3. This enzyme's activity is crucial for various biological processes, including cell differentiation and embryogenesis. KDM1A's alternative names include BRAF35-HDAC complex protein BHC110 and Flavin-containing amine oxidase domain-containing protein 2.
Therapeutic significance:
KDM1A is implicated in a syndrome characterized by cleft palate, developmental delay, and distinctive facial features, underscoring its potential as a therapeutic target. Understanding the role of KDM1A could open doors to potential therapeutic strategies.