Focused On-demand Library for Metalloreductase STEAP1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

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.

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

Q9UHE8

UPID:

STEA1_HUMAN

Alternative names:

Six-transmembrane epithelial antigen of prostate 1

Alternative UPACC:

Q9UHE8; A4D1E0; O95034

Background:

Metalloreductase STEAP1, also known as Six-transmembrane epithelial antigen of prostate 1, plays a crucial role in cellular redox processes. It uniquely reduces Fe(3+) to Fe(2+) and Cu(2+) to Cu(1+), utilizing NAD(+) as an acceptor. This activity is vital for maintaining metal ion homeostasis and supporting cellular antioxidant defenses.

Therapeutic significance:

Understanding the role of Metalloreductase STEAP1 could open doors to potential therapeutic strategies. Its unique metalloreductase activity highlights its importance in cellular processes and suggests a potential target for modulating redox balance in diseases.