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.
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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UBU7
UPID:
DBF4A_HUMAN
Alternative names:
Activator of S phase kinase; Chiffon homolog A; DBF4-type zinc finger-containing protein 1
Alternative UPACC:
Q9UBU7; A4D1D8; A8K954; O75226; Q75MS6; Q75N01; Q9Y2M6
Background:
Protein DBF4 homolog A, also known as Activator of S phase kinase, plays a pivotal role in DNA replication and cell proliferation. As a regulatory subunit for CDC7, it activates kinase activity essential for S phase progression. The CDC7-DBF4A complex specifically phosphorylates the MCM2 subunit, crucial for initiating DNA replication during the cell cycle.
Therapeutic significance:
Understanding the role of Protein DBF4 homolog A could open doors to potential therapeutic strategies.