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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 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
P24530

UPID:
EDNRB_HUMAN

ALTERNATIVE NAMES:
Endothelin receptor non-selective type

ALTERNATIVE UPACC:
P24530; A2A2Z8; A8K3T4; O15343; Q59GB1; Q5W0G9; Q8NHM6; Q8NHM7; Q8NHM8; Q8NHM9; Q9UD23; Q9UQK3

BACKGROUND:
The Endothelin receptor type B, with alternative naming as Endothelin receptor non-selective type, encoded by the gene P24530, serves as a receptor for endothelin peptides 1, 2, and 3. Its activation involves G protein-coupled pathways leading to calcium signaling, underscoring its significance in cellular communication and response mechanisms.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Endothelin receptor type B could open doors to potential therapeutic strategies for treating diseases such as Waardenburg syndrome 4A, Hirschsprung disease 2, and ABCD syndrome. These conditions underscore the receptor's critical involvement in neural crest development disorders and intestinal ganglion cell development, presenting avenues for targeted drug discovery.

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