AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Eukaryotic initiation factor 4A-I

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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P60842

UPID:

IF4A1_HUMAN

Alternative names:

ATP-dependent RNA helicase eIF4A-1

Alternative UPACC:

P60842; B2R6L8; D3DTP9; J3QLC4; P04765; Q5U018; Q61516

Background:

Eukaryotic initiation factor 4A-I (eIF4A-I) functions as an ATP-dependent RNA helicase, integral to the eIF4F complex, facilitating mRNA binding to the ribosome. This action is crucial for unwinding RNA secondary structures in the 5'-UTR of mRNAs, enabling the small ribosomal subunit to efficiently bind and scan for the initiator codon.

Therapeutic significance:

Understanding the role of Eukaryotic initiation factor 4A-I could open doors to potential therapeutic strategies.

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