Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96P56
UPID:
CTSR2_HUMAN
Alternative names:
-
Alternative UPACC:
Q96P56; Q8NHT9; Q96P54; Q96P55
Background:
Cation channel sperm-associated protein 2 plays a pivotal role in male fertility, acting as a voltage-gated calcium channel essential for sperm hyperactivation, acrosome reaction, and chemotaxis towards the oocyte. Its involvement in calcium-dependent physiological responses underscores its importance in successful fertilization.
Therapeutic significance:
Linked to Deafness-infertility syndrome, a condition marked by deafness and infertility due to gene deletions affecting STRC and CATSPER2, understanding the role of Cation channel sperm-associated protein 2 could open doors to potential therapeutic strategies.