AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nuclear receptor subfamily 5 group A member 2

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Reaxense

upacc

O00482

UPID:

NR5A2_HUMAN

Alternative names:

Alpha-1-fetoprotein transcription factor; B1-binding factor; CYP7A promoter-binding factor; Hepatocytic transcription factor; Liver receptor homolog 1

Alternative UPACC:

O00482; B4E2P3; O95642; Q147U3

Background:

Nuclear receptor subfamily 5 group A member 2, known as Liver receptor homolog 1 among other names, plays a pivotal role in lipid metabolism, cholesterol homeostasis, and triglyceride synthesis. It acts as a metabolic sensor, regulating genes essential for bile acid synthesis and cholesterol 7-alpha-hydroxylase gene expression in the liver. Additionally, it serves an anti-inflammatory role by inhibiting the hepatic acute phase response, showcasing its importance in liver function and development.

Therapeutic significance:

Understanding the role of Nuclear receptor subfamily 5 group A member 2 could open doors to potential therapeutic strategies. Its critical function in regulating lipid metabolism and anti-inflammatory responses highlights its potential as a target for treating metabolic disorders and inflammatory conditions.

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