Focused On-demand Library for Thymidine phosphorylase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P19971

UPID:
TYPH_HUMAN

ALTERNATIVE NAMES:
Gliostatin; Platelet-derived endothelial cell growth factor; TdRPase

ALTERNATIVE UPACC:
P19971; A8MW15; H9KVA0; Q13390; Q8WVB7

BACKGROUND:
Thymidine phosphorylase, known for its alternative names Gliostatin and Platelet-derived endothelial cell growth factor, is crucial for vascular integrity, endothelial cell proliferation, and in vivo angiogenesis. Its enzymatic activity in thymidine phosphorolysis supports both energy production and nucleotide synthesis.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Thymidine phosphorylase could open doors to potential therapeutic strategies, especially considering its association with Mitochondrial DNA depletion syndrome 1, MNGIE type. Its importance in mitochondrial function highlights its potential as a therapeutic target.

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.


Page 7987 of 8789