Focused On-demand Library for Multidrug resistance-associated protein 1

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.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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:
The ATP-binding cassette sub-family C member 1, also known as Multidrug resistance-associated protein 1 (MRP1), is integral to the body's defense mechanism against harmful substances. It achieves this by exporting a wide range of substances, including drugs and metabolic products, out of cells. MRP1's ability to confer resistance to anticancer drugs by decreasing their accumulation in cells is of particular interest in the field of oncology.

THERAPEUTIC SIGNIFICANCE:
Given MRP1's role in mediating drug resistance, it represents a significant target in the development of new cancer therapies. By inhibiting MRP1, it may be possible to enhance the efficacy of anticancer drugs, overcoming one of the major hurdles in effective cancer treatment. Furthermore, understanding the role of MRP1 could open doors to potential therapeutic strategies in combating diseases linked to its function.

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