AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Complement C4-A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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.

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