AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for WD repeat domain phosphoinositide-interacting protein 4

Available from Reaxense
Predicted by Alphafold

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 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted 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

Q9Y484

UPID:

WIPI4_HUMAN

Alternative names:

WD repeat-containing protein 45

Alternative UPACC:

Q9Y484; A6NGH5; B7WPI2; Q5MNZ5; Q6IBS7; Q6NT94; Q96H03

Background:

WD repeat domain phosphoinositide-interacting protein 4, also known as WD repeat-containing protein 45, plays a crucial role in the autophagy process. It is a key component of the machinery that controls the degradation of cytoplasmic materials, facilitating their packaging into autophagosomes and subsequent degradation in lysosomes. This protein binds to phosphatidylinositol 3-phosphate and is activated by the STK11/AMPK signaling pathway during starvation, contributing to autophagosome assembly and regulating their size.

Therapeutic significance:

The protein's involvement in Neurodegeneration with brain iron accumulation 5, a disorder characterized by developmental delays, dystonia, parkinsonism, and dementia, underscores its therapeutic significance. Understanding the role of WD repeat domain phosphoinositide-interacting protein 4 could open doors to potential therapeutic strategies for this debilitating neurodegenerative condition.

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