Focused On-demand Library for Testis anion transporter 1

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

Q96RN1

UPID:

S26A8_HUMAN

Alternative names:

Anion exchange transporter; Solute carrier family 26 member 8

Alternative UPACC:

Q96RN1; Q5JVR5; Q812C7; Q8TC65; Q96MA0; Q96PK8

Background:

Testis anion transporter 1, also known as Solute carrier family 26 member 8, plays a pivotal role in male fertility. It functions as an antiporter, facilitating the exchange of sulfate and oxalate against chloride ions across membranes. This protein is instrumental in stimulating the anion transport activity of CFTR, and may work in tandem with CFTR to regulate chloride and bicarbonate ions fluxes. These processes are crucial for sperm motility and capacitation, as well as sperm tail differentiation.

Therapeutic significance:

The protein is directly linked to Spermatogenic failure 3, a condition marked by primary infertility, sperm morphologic abnormalities, and reduced sperm motility. Understanding the role of Testis anion transporter 1 in this disorder could pave the way for innovative therapeutic strategies targeting male infertility.