Focused On-demand Library for Pyridoxal phosphate homeostasis protein

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
O94903

UPID:
PLPHP_HUMAN

ALTERNATIVE NAMES:
Proline synthase co-transcribed bacterial homolog protein; Pyridoxal phosphate-binding protein

ALTERNATIVE UPACC:
O94903; Q6FI94

BACKGROUND:
Pyridoxal phosphate homeostasis protein, known for its binding with Pyridoxal 5'-phosphate (PLP), is pivotal in maintaining the balance of PLP, the bioactive form of vitamin B6. This protein's alternative names include Proline synthase co-transcribed bacterial homolog protein and Pyridoxal phosphate-binding protein.

THERAPEUTIC SIGNIFICANCE:
Its association with Epilepsy, early-onset, vitamin B6-dependent, underscores the protein's clinical relevance. This condition, marked by seizures treatable with vitamin B6, highlights the therapeutic potential of understanding and manipulating this protein's function.

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