Focused On-demand Libraries - Receptor.AI Collaboration


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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
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:
The multifunctional enzyme complex involving Cytokine-like nuclear factor N-PAC plays a significant role in the regulation of gene expression through chromatin modification. Recognizing and binding to histone H3 and DNA, N-PAC acts as a nucleosome-destabilizing factor that is essential during transcriptional activation. Its collaboration with KDM1B to promote histone demethylase activity and with EP300 to stimulate acetylation of histone H3, alongside its involvement in cardiomyocyte differentiation and MAPK14 signaling, highlights its critical functions in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Cytokine-like nuclear factor N-PAC could open doors to potential therapeutic strategies.

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