AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ferredoxin-2, mitochondrial

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our high-tech, dedicated method is applied to construct 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 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

Q6P4F2

UPID:

FDX2_HUMAN

Alternative names:

Adrenodoxin-like protein; Ferredoxin-1-like protein

Alternative UPACC:

Q6P4F2; B7Z6L7; Q8N8B8

Background:

Ferredoxin-2, mitochondrial, known alternatively as Adrenodoxin-like protein or Ferredoxin-1-like protein, plays a pivotal role in the mitochondrial iron-sulfur protein biogenesis. It acts as an electron donor in the core iron-sulfur cluster (ISC) assembly complex, facilitating the reduction of persulfide into sulfide during [2Fe-2S] clusters assembly on ISCU. This process is crucial for the synthesis of [2Fe-2S] clusters, essential components in various biological processes.

Therapeutic significance:

Ferredoxin-2, mitochondrial, is linked to Mitochondrial myopathy, episodic, with optic atrophy and reversible leukoencephalopathy, a disorder characterized by recurrent episodes of weakness and myalgia. Understanding the role of Ferredoxin-2 could open doors to potential therapeutic strategies for this and related neuromuscular disorders.

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