Focused On-demand Library for Inositol polyphosphate 5-phosphatase K

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

upacc

Q9BT40

UPID:

INP5K_HUMAN

Alternative names:

Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase; Phosphatidylinositol-4,5-bisphosphate 5-phosphatase; Skeletal muscle and kidney-enriched inositol phosphatase

Alternative UPACC:

Q9BT40; B2R6I2; B2R750; D3DTH8; Q15733; Q9NPJ5; Q9P2R5

Background:

Inositol polyphosphate 5-phosphatase K, also known as Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase and Phosphatidylinositol-4,5-bisphosphate 5-phosphatase, plays a pivotal role in cellular processes. It acts on various phosphoinositides and is crucial in regulating the assembly of the actin cytoskeleton and insulin-dependent glucose uptake in skeletal muscle. Its activity influences cellular signaling pathways, impacting cell growth, survival, and differentiation.

Therapeutic significance:

The protein's involvement in congenital muscular dystrophy with cataracts and intellectual disability highlights its potential as a therapeutic target. Understanding the role of Inositol polyphosphate 5-phosphatase K could open doors to potential therapeutic strategies for treating this debilitating disease, offering hope for patients and advancing medical research.