Focused On-demand Library for ATP-binding cassette sub-family C member 4

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

O15439

UPID:

MRP4_HUMAN

Alternative names:

MRP/cMOAT-related ABC transporter; Multi-specific organic anion transporter B; Multidrug resistance-associated protein 4

Alternative UPACC:

O15439; A9Z1Z7; B7Z3Q7; Q8IVZ4; Q8IZN6; Q8NEW8; Q9Y6J2

Background:

ATP-binding cassette sub-family C member 4 (ABCC4), also known as Multi-specific organic anion transporter B and Multidrug resistance-associated protein 4, plays a crucial role in cellular processes. It functions as an ATP-dependent transporter within the ABC family, actively extruding a wide array of substances from cells. These include physiological compounds, xenobiotics, cyclic nucleotides like cAMP and cGMP, bile acids, steroid conjugates, and drugs such as anticancer and antiviral medications.

Therapeutic significance:

Understanding the role of ATP-binding cassette sub-family C member 4 could open doors to potential therapeutic strategies. Its ability to transport a diverse range of drugs and metabolites highlights its significance in drug resistance and pharmacokinetics, offering a promising target for enhancing drug efficacy and overcoming multidrug resistance.