AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Inter-alpha-trypsin inhibitor heavy chain H1

Available from Reaxense
Predicted by Alphafold

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused 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

P19827

UPID:

ITIH1_HUMAN

Alternative names:

Inter-alpha-trypsin inhibitor complex component III; Serum-derived hyaluronan-associated protein

Alternative UPACC:

P19827; A8K9N5; B2RAH9; B7Z558; B7Z8C0; F5H165; F5H7Y8; P78455; Q01746; Q562G1

Background:

Inter-alpha-trypsin inhibitor heavy chain H1, also known as Serum-derived hyaluronan-associated protein, plays a crucial role in the regulation of hyaluronan. This involves its synthesis, localization, and degradation, which are vital for cells in various biological processes. Additionally, it contains a peptide that could stimulate a broad spectrum of phagocytotic cells, highlighting its potential in immune response modulation.

Therapeutic significance:

Understanding the role of Inter-alpha-trypsin inhibitor heavy chain H1 could open doors to potential therapeutic strategies. Its involvement in hyaluronan regulation and immune response presents a unique opportunity for developing treatments targeting these pathways.

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