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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
O43852
UPID:
CALU_HUMAN
Alternative names:
Crocalbin; IEF SSP 9302
Alternative UPACC:
O43852; B3KPG9; D6QS48; D6QS49; D6QS50; D6QS51; D6QS52; D6QS53; D6QS54; D6QS55; D6QS56; D6QS57; D6QS58; D6QS59; F5H1Q9; F5H879; O60456; Q6FHB9; Q96RL3; Q9NR43
Background:
Calumenin, known alternatively as Crocalbin or IEF SSP 9302, plays a crucial role in the regulation of vitamin K-dependent carboxylation of N-terminal glutamate residues. This protein, identified by its unique accession number O43852, is characterized by its ability to inhibit the gamma-carboxylase GGCX and its binding to seven calcium ions with low affinity, suggesting a multifaceted role in calcium signaling and coagulation pathways.
Therapeutic significance:
Understanding the role of Calumenin could open doors to potential therapeutic strategies. Its involvement in the regulation of crucial enzymatic processes hints at its potential as a target for modulating coagulation disorders and calcium-related diseases.