Focused On-demand Library for Quinone oxidoreductase-like protein 1

Focused On-demand Libraries - Reaxense Collaboration

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

O95825

UPID:

QORL1_HUMAN

Alternative names:

Protein 4P11; Quinone oxidoreductase homolog 1; Zeta-crystallin homolog

Alternative UPACC:

O95825; B2RDX1; B3KQ77; Q96DY0; Q9NVY7

Background:

Quinone oxidoreductase-like protein 1, also known as Protein 4P11, Quinone oxidoreductase homolog 1, and Zeta-crystallin homolog, is encoded by the gene with the accession number O95825. This protein plays a crucial role in the cellular response to oxidative stress, acting as a potential detoxifying enzyme by facilitating the reduction of quinone substrates to their less reactive and toxic hydroquinone forms.

Therapeutic significance:

Understanding the role of Quinone oxidoreductase-like protein 1 could open doors to potential therapeutic strategies. Its involvement in oxidative stress response highlights its potential as a target for diseases characterized by oxidative damage.