Focused On-demand Library for Ficolin-3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

O75636

UPID:

FCN3_HUMAN

Alternative names:

Collagen/fibrinogen domain-containing lectin 3 p35; Collagen/fibrinogen domain-containing protein 3; Hakata antigen

Alternative UPACC:

O75636; Q6IBJ5; Q8WW86

Background:

Ficolin-3, known alternatively as Collagen/fibrinogen domain-containing lectin 3 p35, plays a pivotal role in innate immunity. It activates the lectin complement pathway, binding specifically to certain sugars and lipopolysaccharides, indicating its crucial role in recognizing and combating pathogens. Its affinity for GalNAc, GlcNAc, D-fucose, and lipopolysaccharides from S.typhimurium and S.minnesota underscores its specificity and importance in immune responses.

Therapeutic significance:

Ficolin 3 deficiency, a disorder marked by immunodeficiency and recurrent infections, underscores the protein's critical role in human health. Understanding the role of Ficolin-3 could open doors to potential therapeutic strategies, especially for enhancing immune responses and developing treatments for related immunodeficiencies.