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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q8IWT6

UPID:
LRC8A_HUMAN

ALTERNATIVE NAMES:
Leucine-rich repeat-containing protein 8A; Swelling protein 1

ALTERNATIVE UPACC:
Q8IWT6; Q6UXM2; Q8NCI0; Q9P2B1

BACKGROUND:
The protein LRRC8A, known for its roles in cell volume regulation and ion transport, is integral to the VRAC channel's function. It supports iodide over chloride conduction and the efflux of amino acids in osmotic stress conditions. LRRC8A's interaction with other LRRC8 family members dictates the channel's properties, influencing drug uptake, immune messenger transport, and cellular responses to environmental changes. Its significance extends to B-cell and T-cell maturation, muscle cell differentiation, and pancreatic beta-cell glucose sensitivity.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of LRRC8A could open doors to potential therapeutic strategies. Its direct link to Agammaglobulinemia 5 highlights its importance in immune system function and presents a target for developing treatments for immunodeficiency diseases, as well as optimizing cisplatin chemotherapy efficacy.

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.