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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
A8MZ26
UPID:
EFCB9_HUMAN
Alternative names:
-
Alternative UPACC:
A8MZ26
Background:
EF-hand calcium-binding domain-containing protein 9 plays a crucial role in sperm cell hyperactivation by serving as an auxiliary component of the CatSper complex. This protein acts as a pH-dependent Ca(2+) sensor, essential for activating the CatSper channel, thereby facilitating sperm motility vital for fertilization.
Therapeutic significance:
Understanding the role of EF-hand calcium-binding domain-containing protein 9 could open doors to potential therapeutic strategies.