Focused On-demand Library for Serotransferrin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

P02787

UPID:

TRFE_HUMAN

Alternative names:

Beta-1 metal-binding globulin; Siderophilin

Alternative UPACC:

P02787; O43890; Q1HBA5; Q9NQB8; Q9UHV0

Background:

Serotransferrin, also known as Beta-1 metal-binding globulin or Siderophilin, is a pivotal iron-binding transport protein. It plays a crucial role in the transport of iron across the body, facilitating the movement of iron from absorption sites to storage and utilization areas. This protein's ability to bind two Fe(3+) ions alongside an anion, typically bicarbonate, underscores its significance in iron metabolism. Additionally, serotransferrin stimulates cell proliferation, highlighting its multifaceted biological functions.

Therapeutic significance:

The association of Serotransferrin with Atransferrinemia, a rare autosomal recessive disorder characterized by iron overload and microcytic hypochromic anemia, underscores its therapeutic significance. This connection opens avenues for targeted therapeutic strategies aimed at correcting the abnormal synthesis of transferrin, thereby addressing the underlying cause of iron dysregulation in Atransferrinemia.