Focused On-demand Libraries - Receptor.AI 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 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.


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
Q99788

UPID:
CML1_HUMAN

ALTERNATIVE NAMES:
Chemokine-like receptor 1; G-protein coupled receptor ChemR23; G-protein coupled receptor DEZ

ALTERNATIVE UPACC:
Q99788; A8K6Y5; O75748; Q3KP37; Q5U0H0; Q99789

BACKGROUND:
The Chemerin-like receptor 1, identified by alternative names such as G-protein coupled receptor ChemR23 and DEZ, is integral in initiating cellular responses through its interaction with RARRES2 and resolvin E1. This leads to activation of various signaling pathways, including G proteins G(i)/G(o), beta-arrestin, and second messengers like calcium, MAPK, and PI3K, resulting in reduced immune responses, enhanced adipogenesis, and angiogenesis. Additionally, it serves as a coreceptor for several SIV strains and a primary HIV-1 strain, highlighting its role in microbial infection.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Chemerin-like receptor 1 could open doors to potential therapeutic strategies.

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