Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q92889
UPID:
XPF_HUMAN
Alternative names:
DNA excision repair protein ERCC-4; DNA repair protein complementing XP-F cells; Xeroderma pigmentosum group F-complementing protein
Alternative UPACC:
Q92889; A5PKV6; A8K111; O00140; Q8TD83
Background:
DNA repair endonuclease XPF, also known as ERCC-4, plays a pivotal role in the nucleotide excision repair (NER) and interstrand cross-link (ICL) repair pathways. This protein is crucial for the 5-prime incision during DNA repair, ensuring genomic stability by correcting DNA damages.
Therapeutic significance:
Mutations in XPF are linked to diseases such as Xeroderma pigmentosum, XFE progeroid syndrome, and Fanconi anemia, highlighting its critical role in preventing DNA damage-induced pathologies. Targeting XPF pathways offers a promising avenue for therapeutic interventions in these genetic disorders.