Focused On-demand Library for Multiple inositol polyphosphate phosphatase 1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q9UNW1

UPID:

MINP1_HUMAN

Alternative names:

2,3-bisphosphoglycerate 3-phosphatase; Inositol (1,3,4,5)-tetrakisphosphate 3-phosphatase

Alternative UPACC:

Q9UNW1; F5H683; O95172; O95286; Q59EJ2; Q9UGA3

Background:

Multiple inositol polyphosphate phosphatase 1 (MIPP1) plays a pivotal role in cellular processes by regulating the levels of inositol pentakisphosphate (InsP5) and inositol hexakisphosphate (InsP6). It also functions as a 2,3-bisphosphoglycerate 3-phosphatase, influencing bone development and chondrocyte maturation. Its activity is crucial for maintaining intracellular cation homeostasis, including calcium and iron, essential for neural cell signaling.

Therapeutic significance:

MIPP1 is implicated in non-medullary thyroid cancer and pontocerebellar hypoplasia 16, diseases with significant genetic components. Understanding MIPP1's role could lead to novel therapeutic strategies targeting these conditions, potentially offering new avenues for treatment and management.