Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P07992
UPID:
ERCC1_HUMAN
Alternative names:
-
Alternative UPACC:
P07992; B2RC01; B3KRR0; Q7Z7F5; Q96S40
Background:
DNA excision repair protein ERCC-1 plays a pivotal role in DNA repair mechanisms, specifically in the 5'-incision during DNA repair in conjunction with SLX4. It is crucial for the repair of interstrand cross-links and participates in the processing of anaphase bridge-generating DNA structures, which are critical for maintaining genomic stability.
Therapeutic significance:
ERCC-1's involvement in Cerebro-oculo-facio-skeletal syndrome 4, characterized by microcephaly, congenital cataracts, and severe psychomotor retardation, underscores its therapeutic potential. Understanding ERCC-1's role could pave the way for innovative treatments targeting nucleotide-excision repair disorders.