Focused On-demand Library for Cation channel sperm-associated targeting subunit tau

Focused On-demand Libraries - Reaxense Collaboration

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q53TS8

UPID:

CTSRT_HUMAN

Alternative names:

Amyotrophic lateral sclerosis 2 chromosomal region candidate gene 11 protein; C2 calcium-dependent domain-containing protein 6

Alternative UPACC:

Q53TS8; C9IZH7; E9PGG4; Q8NCN6; Q96LN4

Background:

The Cation channel sperm-associated targeting subunit tau, also known as Amyotrophic lateral sclerosis 2 chromosomal region candidate gene 11 protein and C2 calcium-dependent domain-containing protein 6, plays a crucial role in sperm cell hyperactivation. This process is essential for sperm motility, a key factor in the successful fertilization of an egg. The protein is an auxiliary component of the CatSper complex, facilitating the targeting and trafficking of this complex into the quadrilinear nanodomains of elongating flagella.

Therapeutic significance:

Spermatogenic failure 68, a disorder characterized by globozoospermia and linked to variants affecting this protein, highlights its critical role in male fertility. Understanding the role of Cation channel sperm-associated targeting subunit tau could open doors to potential therapeutic strategies for treating infertility issues related to sperm motility.