Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address 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
P18505

UPID:
GBRB1_HUMAN

ALTERNATIVE NAMES:
GABA(A) receptor subunit beta-1

ALTERNATIVE UPACC:
P18505; B2R6U7; D6REL3; Q16166; Q8TBK3

BACKGROUND:
The GABA(A) receptor subunit beta-1 is integral for inhibitory neurotransmission in the vertebrate brain, serving as a component of the receptor for GABA. It also functions as a receptor for histamine, diazepines, and various anesthetics, facilitating cellular responses through its role as a ligand-gated chloride channel.

THERAPEUTIC SIGNIFICANCE:
Associated with Developmental and epileptic encephalopathy 45, characterized by refractory seizures and neurodevelopmental impairment, the study of Gamma-aminobutyric acid receptor subunit beta-1 could unveil new therapeutic avenues for epilepsy and cognitive disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.