Focused On-demand Library for Complement factor H-related protein 1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q03591

UPID:

FHR1_HUMAN

Alternative names:

H factor-like protein 1; H36

Alternative UPACC:

Q03591; A8K465; Q3B774; Q9UJ17

Background:

Complement factor H-related protein 1 (CFHR1), also known as H factor-like protein 1 or H36, plays a crucial role in complement regulation. Its ability to form dimers enhances its affinity for tissue-bound complement fragments, positioning it as a competitive inhibitor against the physiological complement inhibitor CFH. Additionally, CFHR1's association with lipoproteins suggests a significant role in lipid metabolism.

Therapeutic significance:

The involvement of CFHR1 in atypical hemolytic uremic syndrome (aHUS), a genetic condition marked by renal failure and a higher mortality rate, underscores its therapeutic significance. Variants affecting CFHR1, including specific deletions, have been linked to an increased risk of aHUS, highlighting the protein's potential as a target for therapeutic intervention in complement-mediated diseases.