Focused On-demand Library for Complement C3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

P01024

UPID:

CO3_HUMAN

Alternative names:

C3 and PZP-like alpha-2-macroglobulin domain-containing protein 1

Alternative UPACC:

P01024; A7E236

Background:

Complement C3, also known as C3 and PZP-like alpha-2-macroglobulin domain-containing protein 1, is pivotal in the activation of the complement system. It undergoes proteolytic degradation to form C3a anaphylatoxin, a mediator of inflammation, and plays a crucial role in immune response by binding to cell surface carbohydrates or immune aggregates.

Therapeutic significance:

Complement C3 deficiency leads to severe infections and autoimmune disorders. Its involvement in age-related macular degeneration and atypical hemolytic uremic syndrome underscores its therapeutic potential. Targeting C3 could offer new treatments for these conditions.