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 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.


Our high-tech, dedicated method is applied to construct targeted 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 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
Receptor.AI
 
UPACC
P54821

UPID:
PRRX1_HUMAN

ALTERNATIVE NAMES:
Homeobox protein PHOX1; Paired-related homeobox protein 1

ALTERNATIVE UPACC:
P54821; B5BUM7; O60807

BACKGROUND:
The Paired mesoderm homeobox protein 1, known alternatively as Homeobox protein PHOX1 and Paired-related homeobox protein 1, is a transcriptional regulator essential for muscle type differentiation. It specifically binds to an A/T-rich element in the muscle creatine enhancer, facilitating the expression of muscle creatine kinase (MCK) and influencing mesodermal muscle development.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the development of the Agnathia-otocephaly complex, a deeper understanding of Paired mesoderm homeobox protein 1 could lead to innovative therapeutic approaches for managing this severe condition.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.