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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NWY4
UPID:
HPF1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NWY4
Background:
Histone PARylation factor 1 (HPF1) plays a pivotal role in the DNA damage response by acting as a cofactor for serine ADP-ribosylation, a critical modification for DNA repair. It enhances the specificity of PARP1 and PARP2 towards serine residues, facilitating the recruitment and activation of repair factors through chromatin decompaction. HPF1's unique ability to modify the active site of PARP enzymes and regulate poly-ADP-ribose chain length underscores its essential function in maintaining genomic stability.
Therapeutic significance:
Understanding the role of Histone PARylation factor 1 could open doors to potential therapeutic strategies. Its central function in DNA repair and the regulation of PARP enzymes positions HPF1 as a promising target for developing novel treatments for diseases characterized by genomic instability.