Focused On-demand Library for Pantothenate kinase 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


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.


Our top-notch dedicated system is used to design specialised 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
Q8TE04

UPID:
PANK1_HUMAN

ALTERNATIVE NAMES:
Pantothenic acid kinase 1

ALTERNATIVE UPACC:
Q8TE04; A6NIP0; Q7RTX6; Q7Z495; Q8TBQ8

BACKGROUND:
Pantothenate kinase 1, identified by the alternative name Pantothenic acid kinase 1, is crucial for the biosynthesis of coenzyme A (CoA). It initiates CoA production by phosphorylating pantothenate, a key step that regulates energy metabolism and fatty acid synthesis in cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Pantothenate kinase 1 offers promising avenues for drug discovery. Given its essential role in coenzyme A synthesis, targeting this protein could lead to innovative treatments for metabolic diseases and improve energy metabolism.

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 7462 of 8789