Focused On-demand Library for Olfactory receptor 51E2

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


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 enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Q9H255

UPID:
O51E2_HUMAN

ALTERNATIVE NAMES:
HPRAJ; Olfactory receptor OR11-16; Prostate-specific G-protein coupled receptor

ALTERNATIVE UPACC:
Q9H255; B2RA63; Q6IF94

BACKGROUND:
The Olfactory receptor 51E2, identified by alternative names such as HPRAJ and Prostate-specific G-protein coupled receptor, is activated by a diverse range of molecules including beta-ionone and short-chain fatty acids. This receptor's activation leads to significant cellular responses, including increased intracellular Ca(2+), cAMP levels, and activation of PKA and MAPK3/MAPK1, influencing melanocyte behavior and retinal pigment epithelial cells' proliferation and migration.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Olfactory receptor 51E2 offers a promising avenue for therapeutic intervention. Given its activation by various ligands and subsequent impact on cellular processes critical for melanogenesis and cell proliferation, targeting this receptor could yield novel treatments for diseases related to these processes.

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