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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NEC5
UPID:
CTSR1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NEC5; Q96P76
Background:
Cation channel sperm-associated protein 1 plays a pivotal role in calcium-dependent physiological responses crucial for fertilization, including sperm hyperactivation, acrosome reaction, and chemotaxis towards the oocyte. This protein's functionality underscores its importance in the reproductive process.
Therapeutic significance:
Linked to Spermatogenic failure 7, a disorder characterized by impaired sperm motility and structure, understanding the role of Cation channel sperm-associated protein 1 could open doors to potential therapeutic strategies aimed at alleviating infertility.