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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q49A26
UPID:
GLYR1_HUMAN
Alternative names:
3-hydroxyisobutyrate dehydrogenase-like protein; Glyoxylate reductase 1 homolog; Nuclear protein NP60; Nuclear protein of 60 kDa; Nucleosome-destabilizing factor; Putative oxidoreductase GLYR1
Alternative UPACC:
Q49A26; B4DL47; C9JJ40; C9JJ60; Q5U632; Q6P1Q2; Q6V3W7; Q9BTI1; Q9BXK2
Background:
Cytokine-like nuclear factor N-PAC, known for its diverse roles in chromatin modification and gene expression regulation, is a pivotal player in cellular biology. This protein, also referred to as 3-hydroxyisobutyrate dehydrogenase-like protein, Glyoxylate reductase 1 homolog, and several other names, exhibits a unique ability to bind histone H3 and DNA, facilitating transcriptional activation. Its interaction with KDM1B enhances histone demethylase activity, crucial for chromatin remodeling and efficient transcription through nucleosomes. N-PAC's role in heart development and stress response via MAPK14/p38alpha regulation underscores its multifunctional nature.
Therapeutic significance:
Understanding the role of Cytokine-like nuclear factor N-PAC could open doors to potential therapeutic strategies.