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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O60216
UPID:
RAD21_HUMAN
Alternative names:
Nuclear matrix protein 1; SCC1 homolog
Alternative UPACC:
O60216; A8K0E0; Q15001; Q99568
Background:
The Double-strand-break repair protein rad21 homolog, also known as Nuclear matrix protein 1 and SCC1 homolog, plays a pivotal role in maintaining genomic stability. It is integral to the cohesin complex, ensuring sister chromatid cohesion from DNA replication in S phase to segregation in mitosis. This function is crucial for chromosome segregation, DNA repair, and preventing inappropriate recombination. Additionally, it may influence gene expression and embryonic gut development.
Therapeutic significance:
Linked to Cornelia de Lange syndrome 4 and Mungan syndrome, the protein's dysfunction underscores its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for these genetic disorders, highlighting the importance of research in this area.