Focused On-demand Library for Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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.


Our high-tech, dedicated method is applied to construct targeted 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.


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
O43314

UPID:
VIP2_HUMAN

ALTERNATIVE NAMES:
Diphosphoinositol pentakisphosphate kinase 2; Histidine acid phosphatase domain-containing protein 1; InsP6 and PP-IP5 kinase 2; VIP1 homolog 2

ALTERNATIVE UPACC:
O43314; A1NI53; A6NGS8; Q8TB50

BACKGROUND:
The enzyme Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, with alternative names such as VIP1 homolog 2, is crucial for the synthesis of inositol pyrophosphates. These molecules, PP-InsP5 and (PP)2-InsP4, are essential for cellular functions like cytoskeletal dynamics and neutrophil activation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 offers a promising avenue for developing treatments, especially for sensorineural deafness characterized by prelingual hearing impairment.

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