Focused On-demand Library for Gamma-aminobutyric acid type B receptor subunit 1

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.


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 use our state-of-the-art dedicated workflow for designing focused 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
Q9UBS5

UPID:
GABR1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9UBS5; B0UXY7; O95375; O95468; O95975; O96022; Q5STL4; Q5SUJ8; Q5SUL3; Q71SG6; Q86W60; Q9UQQ0

BACKGROUND:
The Gamma-aminobutyric acid type B receptor subunit 1 (GABBR1) plays a critical role in the GABAergic system, acting as a key regulator of inhibitory synaptic transmission. It functions by forming a heterodimer with GABBR2, where GABBR1 binds agonists and GABBR2 couples to G proteins, leading to a cascade of cellular responses that modulate neuronal activity. This intricate mechanism is essential for various physiological processes, including muscle relaxation and sleep regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Gamma-aminobutyric acid type B receptor subunit 1 offers promising avenues for drug discovery. Its central role in inhibitory neurotransmission and various physiological states makes it an attractive target for developing treatments for conditions related to synaptic dysregulation.

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