Focused On-demand Library for Iron-responsive element-binding protein 2

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P48200

UPID:

IREB2_HUMAN

Alternative names:

Iron regulatory protein 2

Alternative UPACC:

P48200; A0A0A6YY96; A8KAC7; E1CJT9; H0YKU0; Q13095; Q1HE21; Q59FQ7; Q8WVK6; Q9UF17

Background:

Iron-responsive element-binding protein 2 (IREB2), also known as Iron regulatory protein 2, plays a crucial role in iron metabolism. It binds to iron-responsive elements (IREs) in the mRNA of key iron metabolism genes, regulating their expression in response to iron levels. This protein's interaction with IREs in ferritin and transferrin receptor mRNA modulates iron storage and transport.

Therapeutic significance:

IREB2's involvement in Neurodegeneration, early-onset, with choreoathetoid movements and microcytic anemia highlights its potential as a therapeutic target. Understanding IREB2's function could pave the way for novel treatments for this severe disorder, emphasizing the importance of research into its regulatory mechanisms and genetic variants.