AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ovarian cancer G-protein coupled receptor 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q15743

UPID:

OGR1_HUMAN

Alternative names:

G-protein coupled receptor 68; GPR12A; Sphingosylphosphorylcholine receptor

Alternative UPACC:

Q15743; Q13334; Q4VBB4; Q6IX34

Background:

Ovarian cancer G-protein coupled receptor 1 (Q15743), also known as G-protein coupled receptor 68, GPR12A, and Sphingosylphosphorylcholine receptor, plays a crucial role in pH homeostasis. It functions as a proton-sensing receptor, vital for regulating cell-mediated responses to acidosis in bone, and is activated at lower pH levels. This receptor is also implicated in suppressing metastasis in prostate cancer.

Therapeutic significance:

The protein's involvement in Amelogenesis imperfecta, hypomaturation type, 2A6, a disorder affecting enamel formation, highlights its potential as a target for therapeutic intervention. Understanding the role of Ovarian cancer G-protein coupled receptor 1 could open doors to potential therapeutic strategies.

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