Focused On-demand Library for Complement C5

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.

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P01031

UPID:

CO5_HUMAN

Alternative names:

C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4

Alternative UPACC:

P01031; Q14CJ0; Q27I61

Background:

Complement C5, also known as C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4, plays a pivotal role in the immune response. It is crucial for the activation of the complement system, leading to the formation of the membrane attack complex. This process is essential for the defense against pathogens. Additionally, C5a, a derivative of C5, acts as a potent chemokine, driving inflammatory responses and directing immune cells to sites of infection.

Therapeutic significance:

Complement component 5 deficiency, a rare genetic disorder, underscores the vital role of C5 in human health, manifesting in increased susceptibility to severe infections. Targeting C5 or its pathways offers promising therapeutic avenues for treating immune and inflammatory diseases, highlighting the importance of further research into its functions and mechanisms.