Focused On-demand Libraries - Receptor.AI 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.


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


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9UJ71

UPID:
CLC4K_HUMAN

ALTERNATIVE NAMES:
Langerin

ALTERNATIVE UPACC:
Q9UJ71

BACKGROUND:
The protein C-type lectin domain family 4 member K, known alternatively as Langerin, is integral to immune defense, mediating the formation of Birbeck granules and antigen presentation. Its mannose-binding specificity allows it to bind various glycans and facilitate antigen uptake, crucial for T cell activation. Langerin is a key receptor for pathogens like Candida, Saccharomyces, and Malassezia furfur and plays a protective role against HIV-1 infection by promoting virus degradation.

THERAPEUTIC SIGNIFICANCE:
Langerin's critical function in immune surveillance and pathogen degradation underscores its therapeutic potential. Exploring Langerin's mechanisms could lead to innovative therapeutic approaches, especially in immunodeficiency and infectious disease management, by harnessing its antigen-presenting and pathogen-binding capabilities.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.