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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P41595

UPID:
5HT2B_HUMAN

ALTERNATIVE NAMES:
Serotonin receptor 2B

ALTERNATIVE UPACC:
P41595; B2R9D5; Q53TI1; Q62221; Q6P523

BACKGROUND:
Serotonin receptor 2B, a key player in the G-protein coupled receptor family, interacts with serotonin and psychoactive substances. This interaction triggers signaling pathways that influence calcium ion release, affecting neural activity and behaviors. The receptor's role extends to vital physiological processes, including cardiac myocyte proliferation, apoptosis prevention in cardiomyocytes, and vasoconstriction regulation, underscoring its importance in cardiovascular and neural health.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of the Serotonin receptor 2B offers a promising avenue for developing novel treatments. Its regulatory effect on neurotransmitter levels and contribution to cardiovascular and skeletal health positions it as a valuable target in drug discovery efforts.

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