AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Inositol polyphosphate-4-phosphatase type I A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q96PE3

UPID:

INP4A_HUMAN

Alternative names:

Inositol polyphosphate 4-phosphatase type I; Type I inositol 3,4-bisphosphate 4-phosphatase

Alternative UPACC:

Q96PE3; O15326; Q13187; Q53TD8; Q8TC02

Background:

Inositol polyphosphate-4-phosphatase type I A, also known as Inositol polyphosphate 4-phosphatase type I, plays a crucial role in cellular processes by catalyzing the hydrolysis of phosphatidylinositol 3,4-bisphosphate. This enzyme is pivotal in modulating cell cycle progression and cell survival by antagonizing the PI3K-AKT/PKB signaling pathway. Its ability to regulate the synaptic localization of NMDA-type glutamate receptors underscores its potential in protecting neurons from excitotoxic cell death.

Therapeutic significance:

Understanding the role of Inositol polyphosphate-4-phosphatase type I A could open doors to potential therapeutic strategies, particularly in neuroprotection and the modulation of cell survival pathways.

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