AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Probable cytosolic iron-sulfur protein assembly protein CIAO1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

O76071

UPID:

CIAO1_HUMAN

Alternative names:

WD repeat-containing protein 39

Alternative UPACC:

O76071; A0MNN9; Q53FM5

Background:

Probable cytosolic iron-sulfur protein assembly protein CIAO1, also known as WD repeat-containing protein 39, plays a crucial role in the cytosolic iron-sulfur protein assembly (CIA) complex. This complex is essential for the incorporation of iron-sulfur clusters into extramitochondrial Fe/S proteins, influencing various cellular processes. CIAO1's interaction with CIAO2A or CIAO2B and MMS19 facilitates the assembly of cytosolic-nuclear Fe/S proteins and has specific functions in modulating the transactivation activity of WT1 and in chromosome segregation.

Therapeutic significance:

Understanding the role of Probable cytosolic iron-sulfur protein assembly protein CIAO1 could open doors to potential therapeutic strategies.

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