Focused On-demand Library for Protein tyrosine phosphatase type IVA 1

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q93096

UPID:
TP4A1_HUMAN

ALTERNATIVE NAMES:
PTP(CAAXI); Protein-tyrosine phosphatase 4a1; Protein-tyrosine phosphatase of regenerating liver 1

ALTERNATIVE UPACC:
Q93096; B2R6C8; O00648; Q49A54

BACKGROUND:
The enzyme Protein tyrosine phosphatase type IVA 1, with aliases such as PTP(CAAXI), Protein-tyrosine phosphatase 4a1, and Protein-tyrosine phosphatase of regenerating liver 1, is crucial for mitotic cell cycle progression from G1 to S phase. It significantly contributes to the development and maintenance of epithelial tissues by promoting cell proliferation, motility, and invasive capabilities, which are essential for cancer metastasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Protein tyrosine phosphatase type IVA 1 offers a promising avenue for identifying novel therapeutic approaches. Given its role in facilitating cancer metastasis, targeting this protein could lead to innovative treatments aimed at halting or reversing tumor spread.

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