Focused On-demand Library for Serine/threonine-protein phosphatase 5

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
P53041

UPID:
PPP5_HUMAN

ALTERNATIVE NAMES:
Protein phosphatase T

ALTERNATIVE UPACC:
P53041; Q16722; Q53XV2

BACKGROUND:
Serine/threonine-protein phosphatase 5, also known as Protein phosphatase T, is crucial for dephosphorylating a myriad of proteins involved in signaling pathways related to kinases, nuclear receptors, and SMAD proteins. It plays a significant role in apoptosis, differentiation, DNA damage response, and cell survival, influenced by hormones, calcium, and oxidative stress.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein phosphatase 5 reveals its potential in developing therapeutic strategies. Its central role in regulating key cellular processes and response mechanisms positions it as a promising target for drug discovery in conditions associated with these pathways.

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