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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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.


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


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
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:
The ATP-binding cassette sub-family C member 4, known for its alternative names such as MRP/cMOAT-related ABC transporter, is pivotal in mediating the ATP-dependent efflux of various endogenous molecules and xenobiotics. This includes the transport of cyclic nucleotides, bile acids, urate, prostaglandins, and glutathione conjugates, underscoring its integral role in cellular detoxification and communication.

THERAPEUTIC SIGNIFICANCE:
The exploration of ATP-binding cassette sub-family C member 4's function offers a fertile ground for developing novel therapeutic approaches. Its involvement in the efflux of a broad spectrum of drugs and their metabolites positions it as a key player in addressing drug resistance, potentially revolutionizing treatment modalities for various diseases.

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