Focused On-demand Library for CD40 ligand

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.

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 protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P29965

UPID:

CD40L_HUMAN

Alternative names:

T-cell antigen Gp39; TNF-related activation protein; Tumor necrosis factor ligand superfamily member 5

Alternative UPACC:

P29965

Background:

CD40 ligand, also known as T-cell antigen Gp39, TNF-related activation protein, and tumor necrosis factor ligand superfamily member 5, plays a pivotal role in immune response regulation. It acts as a ligand to CD40/TNFRSF5, costimulating T-cell proliferation and cytokine production. This protein is crucial for B-cell proliferation, immunoglobulin class switching, and the activation of various signaling pathways including NF-kappa-B.

Therapeutic significance:

The CD40 ligand is implicated in Immunodeficiency with hyper-IgM, type 1, a condition marked by recurrent infections and a high mortality rate in youth. Understanding the role of CD40 ligand could open doors to potential therapeutic strategies for this and related immunodeficiencies.