Focused On-demand Library for Complement C4-A

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

P0C0L4

UPID:

CO4A_HUMAN

Alternative names:

Acidic complement C4; C3 and PZP-like alpha-2-macroglobulin domain-containing protein 2

Alternative UPACC:

P0C0L4; A6H8M8; A6NHJ5; A7E2V2; B0QZR6; B0V2C8; B2RUT6; B7ZVZ6; P01028; P78445; Q13160; Q13906; Q14033; Q14835; Q4LE82; Q5JNX2; Q5JQM8; Q6P4R1; Q6U2E5; Q6U2E8; Q6U2F0; Q6U2F3; Q6U2F4; Q6U2F6; Q6U2F8; Q6U2G0; Q96EG2; Q96SA8; Q9NPK5; Q9UIP5

Background:

Complement C4-A, also known as Acidic complement C4, plays a pivotal role in the classical complement pathway. It binds covalently to immunoglobulins and immune complexes, enhancing the solubilization of immune aggregates. Its two isotypes, C4A and C4B, differ in their binding capabilities, crucial for effective immune response.

Therapeutic significance:

Complement C4-A deficiency and its involvement in systemic lupus erythematosus (SLE) highlight its therapeutic significance. Understanding the protein's role could lead to novel treatments for autoimmune disorders, where regulating C4-A activity might mitigate disease symptoms or progression.