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. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P33527
UPID:
MRP1_HUMAN
Alternative names:
ATP-binding cassette sub-family C member 1; Glutathione-S-conjugate-translocating ATPase ABCC1; Leukotriene C(4) transporter
Alternative UPACC:
P33527; A3RJX2; C9JPJ4; O14819; O43333; P78419; Q59GI9; Q9UQ97; Q9UQ99; Q9UQA0
Background:
Multidrug resistance-associated protein 1 (MRP1), encoded by the gene with accession number P33527, plays a pivotal role in cellular detoxification. It is known for mediating the export of organic anions and drugs from the cytoplasm, including glutathione and glutathione conjugates, leukotriene C4, estradiol-17-beta-o-glucuronide, methotrexate, antiviral drugs, and other xenobiotics. MRP1 also facilitates the ATP-dependent transport of anticancer drugs, contributing to drug resistance in cancer cells.
Therapeutic significance:
MRP1's involvement in the pathogenesis of Deafness, autosomal dominant, 77, underscores its clinical relevance. This connection highlights the protein's potential as a target for therapeutic intervention in sensorineural hearing loss. Understanding the role of MRP1 could open doors to potential therapeutic strategies, offering hope for treatments that could mitigate or reverse the progression of this form of deafness.