Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 high-tech, dedicated method is applied to construct targeted 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
P0CE72
UPID:
ONCO_HUMAN
Alternative names:
Parvalbumin beta
Alternative UPACC:
P0CE72; B9EJH7; P32930; Q6ISI5; Q75MW0
Background:
Oncomodulin-1, also known as Parvalbumin beta, is a protein that exhibits calmodulin-like activity, influencing enzyme activation and growth regulation. It uniquely binds two calcium ions, indicating a specialized role in calcium signaling pathways.
Therapeutic significance:
Understanding the role of Oncomodulin-1 could open doors to potential therapeutic strategies. Its involvement in calcium signaling pathways suggests a foundational role in cellular processes, which, when deciphered, could lead to novel interventions.