Focused On-demand Library for Relaxin receptor 1

Focused On-demand Libraries - Reaxense 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.

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

Q9HBX9

UPID:

RXFP1_HUMAN

Alternative names:

Leucine-rich repeat-containing G-protein coupled receptor 7; Relaxin family peptide receptor 1

Alternative UPACC:

Q9HBX9; B4DHD1; B4DTV2; Q2M215; Q3KU24; Q3KU25; Q3KU26

Background:

Relaxin receptor 1, also known as leucine-rich repeat-containing G-protein coupled receptor 7, plays a pivotal role in mediating the effects of relaxins. These effects are achieved through the activation of G proteins, leading to an increase in adenylate cyclase activity and a subsequent rise in cAMP levels. Additionally, ligand binding may activate a tyrosine kinase pathway, further influencing cellular functions by inhibiting a phosphodiesterase that degrades cAMP.

Therapeutic significance:

Understanding the role of Relaxin receptor 1 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways offers a unique opportunity to modulate various physiological processes, potentially addressing unmet medical needs.