Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
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.