Focused On-demand Library for Anion exchange protein 3

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.

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.

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

P48751

UPID:

B3A3_HUMAN

Alternative names:

CAE3/BAE3; Cardiac/brain band 3-like protein; Neuronal band 3-like protein; Solute carrier family 4 member 3

Alternative UPACC:

P48751; A6H8L2; A8K1Q9; B7ZVX6; B9EGD1; Q6YIQ9

Background:

Anion exchange protein 3, known by alternative names such as CAE3/BAE3 and Cardiac/brain band 3-like protein, plays a crucial role in the electroneutral exchange of chloride for bicarbonate ions across cell membranes. This sodium-independent anion exchanger is pivotal in regulating intracellular pH and modulating cardiac action potential.

Therapeutic significance:

Linked to Short QT syndrome 7, a heart disorder causing syncope and sudden death, Anion exchange protein 3's understanding could pave the way for innovative therapeutic strategies targeting heart rhythm abnormalities.