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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
P51828

UPID:
ADCY7_HUMAN

ALTERNATIVE NAMES:
ATP pyrophosphate-lyase 7; Adenylate cyclase type VII; Adenylyl cyclase 7

ALTERNATIVE UPACC:
P51828; A0AVA6

BACKGROUND:
Adenylyl cyclase 7, with alternative names ATP pyrophosphate-lyase 7 and Adenylate cyclase type VII, is a key enzyme in the regulation of cAMP synthesis upon activation by G protein-coupled receptors. It functions in diverse signaling pathways activated by agents like thrombin and dopamine, playing a significant role in both innate and adaptive immune responses. Through the regulation of cAMP, it helps in controlling inflammation and is essential for the functioning of B and T cells, highlighting its importance in immune regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Adenylyl cyclase 7 offers a promising avenue for developing new therapeutic approaches in immune regulation and inflammation management.

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