Focused On-demand Library for T-cell surface glycoprotein CD4

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 high-tech, dedicated method is applied to construct targeted 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P01730

UPID:

CD4_HUMAN

Alternative names:

T-cell surface antigen T4/Leu-3

Alternative UPACC:

P01730; B2R737; D3DUS5; Q4ZGK2; Q5U066; Q9UDE5

Background:

T-cell surface glycoprotein CD4, also known as T-cell surface antigen T4/Leu-3, is a pivotal protein in the immune system. It serves as a coreceptor for MHC class II molecule:peptide complex, facilitating the immune response against external and internal threats. CD4's interaction with the T-cell receptor (TCR) and MHC class II molecules on antigen presenting cells (APCs) is crucial for T-helper cell activation, lymphokine production, and the differentiation of monocytes into macrophages.

Therapeutic significance:

Immunodeficiency 79, a disorder marked by recurrent skin warts and respiratory infections due to a complete absence of CD4+ T cells, underscores the critical role of CD4 in immune surveillance. Understanding the role of T-cell surface glycoprotein CD4 could open doors to potential therapeutic strategies for enhancing immune response against viral infections, including human papillomavirus (HPV) and HIV-1.