Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 18

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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 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
Q99952

UPID:
PTN18_HUMAN

ALTERNATIVE NAMES:
Brain-derived phosphatase

ALTERNATIVE UPACC:
Q99952; B4E1E6; Q53P42

BACKGROUND:
The enzyme Tyrosine-protein phosphatase non-receptor type 18, alternatively named Brain-derived phosphatase, is instrumental in the regulation of tyrosine kinase activity. By selectively dephosphorylating overexpressed tyrosine kinases in tumor cells, it serves a crucial function in the modulation of signal transduction pathways implicated in cell growth and proliferation.

THERAPEUTIC SIGNIFICANCE:
The strategic importance of Tyrosine-protein phosphatase non-receptor type 18 in cancer biology cannot be overstated. Its capacity to regulate key enzymes involved in tumor growth and survival underscores its potential as a therapeutic target. Exploring this protein's function further could lead to breakthroughs in cancer treatment, emphasizing the need for continued research in this area.

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