Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P41229
UPID:
KDM5C_HUMAN
Alternative names:
Histone demethylase JARID1C; Jumonji/ARID domain-containing protein 1C; Protein SmcX; Protein Xe169; [histone H3]-trimethyl-L-lysine(4) demethylase 5C
Alternative UPACC:
P41229; B0QZ44; B4E3I2; F5H3T1; Q5JUX3; Q5JUX4; Q5JUX5; Q7Z5S5
Background:
Lysine-specific demethylase 5C, known as Histone demethylase JARID1C, plays a pivotal role in histone code by specifically demethylating 'Lys-4' of histone H3. This action does not extend to other lysine sites on histone H3 or H4, highlighting its specificity. It is involved in transcriptional repression of neuronal genes, crucial for maintaining neuron-restrictive silencer elements.
Therapeutic significance:
The protein's mutation is linked to Intellectual developmental disorder, X-linked, syndromic, Claes-Jensen type, characterized by intellectual disability and potentially progressive spastic paraplegia. Understanding the role of Lysine-specific demethylase 5C could open doors to potential therapeutic strategies for this disorder.