Focused On-demand Library for Complement factor H

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P08603

UPID:

CFAH_HUMAN

Alternative names:

H factor 1

Alternative UPACC:

P08603; A5PL14; P78435; Q14570; Q2TAZ5; Q38G77; Q5TFM3; Q8N708; Q9NU86

Background:

Complement factor H (CFH) is a glycoprotein crucial for modulating complement activation, ensuring a balanced immune response. It inhibits complement activation on cell surfaces by binding to self markers and accelerates the decay of C3 convertase, preventing further complement amplification. CFH also plays a role in cellular responses, including pathogen phagocytosis via interaction with the CR3/ITGAM receptor.

Therapeutic significance:

CFH is implicated in several diseases, including Basal laminar drusen, Complement factor H deficiency, atypical Hemolytic uremic syndrome, and age-related Macular degeneration. Understanding CFH's role could lead to novel therapeutic strategies for these conditions, highlighting its potential as a target in drug discovery for immune and ocular diseases.