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 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 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.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


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
Q7Z449

UPID:
CP2U1_HUMAN

ALTERNATIVE NAMES:
Long-chain fatty acid omega-monooxygenase

ALTERNATIVE UPACC:
Q7Z449; B2RMV7; Q96EQ6

BACKGROUND:
The enzyme Cytochrome P450 2U1, known for its alternative name Long-chain fatty acid omega-monooxygenase, is integral in the metabolism of arachidonic acid, facilitating the insertion of oxygen into substrates. It serves as an omega hydroxylase for arachidonic and other long-chain fatty acids, potentially playing a role in modulating signaling pathways and fatty acid signaling.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in the metabolism of fatty acids and its association with Spastic paraplegia 56, Cytochrome P450 2U1 presents a promising target for drug discovery efforts. Exploring the therapeutic potential of modulating Cytochrome P450 2U1's activity offers a pathway to novel treatments for spastic paraplegia and related conditions.

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