Focused On-demand Libraries - Receptor.AI 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.


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 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.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
Q9NPL8

UPID:
TIDC1_HUMAN

ALTERNATIVE NAMES:
Protein M5-14; Translocase of inner mitochondrial membrane domain-containing protein 1

ALTERNATIVE UPACC:
Q9NPL8; D3DN81; Q6IAJ7; Q6UWU6; Q9NPR3; Q9NPS5; Q9P0Y6

BACKGROUND:
The Complex I assembly factor TIMMDC1, mitochondrial, known alternatively as Protein M5-14 and Translocase of inner mitochondrial membrane domain-containing protein 1, is a chaperone protein. It is vital for the assembly of the mitochondrial NADH:ubiquinone oxidoreductase complex, or complex I, which is crucial for oxidative phosphorylation and energy production in cells.

THERAPEUTIC SIGNIFICANCE:
Linked to Mitochondrial complex I deficiency, nuclear type 31, a disease with variable severity and autosomal recessive inheritance, Complex I assembly factor TIMMDC1's role in disease highlights its potential as a target for therapeutic intervention. Understanding its function could lead to novel treatments for a range of mitochondrial disorders.

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