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:
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.