Focused On-demand Library for Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 1

Focused On-demand Libraries - Reaxense 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 our associate 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Reaxense

upacc

Q6PFW1

UPID:

VIP1_HUMAN

Alternative names:

Diphosphoinositol pentakisphosphate kinase 1; Histidine acid phosphatase domain-containing protein 2A; IP6 kinase; Inositol pyrophosphate synthase 1; InsP6 and PP-IP5 kinase 1; VIP1 homolog

Alternative UPACC:

Q6PFW1; O15082; Q5HYF8; Q7Z3A7; Q86TE7; Q86UV3; Q86UV4; Q86XW8; Q8IZN0

Background:

Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 1, also known as Diphosphoinositol pentakisphosphate kinase 1, plays a pivotal role in cellular processes by synthesizing inositol pyrophosphates such as PP-InsP5 and (PP)2-InsP4. These compounds are crucial for regulating apoptosis, vesicle trafficking, cytoskeletal dynamics, and insulin signaling. The kinase is activated under hyperosmotic stress, highlighting its importance in cellular stress responses.

Therapeutic significance:

Understanding the role of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 1 could open doors to potential therapeutic strategies.