Focused On-demand Library for Hydroxycarboxylic acid receptor 2

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for receptors.

Fig. 1. The sreening 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8TDS4

UPID:

HCAR2_HUMAN

Alternative names:

G-protein coupled receptor 109A; G-protein coupled receptor HM74A; Niacin receptor 1; Nicotinic acid receptor

Alternative UPACC:

Q8TDS4; A0PJL5; A7LGG3

Background:

Hydroxycarboxylic acid receptor 2, also known as G-protein coupled receptor 109A, plays a pivotal role in mediating the effects of nicotinic acid and (D)-beta-hydroxybutyrate. It functions by binding these compounds with high affinity, leading to significant metabolic outcomes such as increased adiponectin secretion and decreased lipolysis. This receptor's activation is crucial for nicotinic acid-induced apoptosis in mature neutrophils, showcasing its importance in cellular metabolism and immune response regulation.

Therapeutic significance:

Understanding the role of Hydroxycarboxylic acid receptor 2 could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways and immune cell regulation presents a unique opportunity for developing treatments targeting metabolic disorders and inflammatory conditions.