Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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 top-notch dedicated system is used to design specialised 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 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
P40145

UPID:
ADCY8_HUMAN

ALTERNATIVE NAMES:
ATP pyrophosphate-lyase 8; Adenylate cyclase type VIII; Adenylyl cyclase 8; Ca(2+)/calmodulin-activated adenylyl cyclase

ALTERNATIVE UPACC:
P40145

BACKGROUND:
Adenylate cyclase type 8, recognized alternatively as Adenylyl cyclase 8, is crucial for cAMP signaling activation through calcium-induced cAMP formation. It affects synaptic plasticity, learning, memory, and insulin secretion by modulating CREB transcription factor activity and glucose signaling pathways. Its role extends to influencing PTGER3 and PTGER4-mediated PLA2 secretion, highlighting its importance in smooth muscle cell functions.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Adenylate cyclase type 8 offers promising avenues for developing novel therapeutic approaches.

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