Focused On-demand Library for Histone PARylation factor 1

Focused On-demand Libraries - Receptor.AI Collaboration


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.


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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9NWY4

UPID:
HPF1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9NWY4

BACKGROUND:
Histone PARylation factor 1 (HPF1) is integral to the DNA damage response mechanism, specifically through serine ADP-ribosylation that confers serine specificity on PARP1 and PARP2. This process is vital for initiating the repair of double-strand DNA breaks, with HPF1's recruitment to damage sites being a key step. By forming a composite active site with PARP enzymes, HPF1 not only initiates but also finely tunes the ADP-ribosylation process, ensuring efficient and precise DNA repair.

THERAPEUTIC SIGNIFICANCE:
The exploration of Histone PARylation factor 1's function offers a promising avenue for therapeutic innovation. Given its crucial role in DNA repair processes, targeting HPF1 could lead to breakthroughs in treatments for conditions arising from DNA damage and genomic instability.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8309 of 8789