AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Small ribosomal subunit protein eS17

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.

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 use our state-of-the-art dedicated workflow for designing focused 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.

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

Reaxense

upacc

P08708

UPID:

RS17_HUMAN

Alternative names:

40S ribosomal protein S17

Alternative UPACC:

P08708; B2R4U4; P0CW22

Background:

Small ribosomal subunit protein eS17, also known as 40S ribosomal protein S17, plays a crucial role in protein synthesis. It is a component of the small ribosomal subunit, essential for the synthesis of proteins within the cell. This protein is involved in the assembly of the SSU processome in the nucleolus, facilitating RNA folding, modifications, rearrangements, and cleavage.

Therapeutic significance:

Diamond-Blackfan anemia 4, a congenital non-regenerative hypoplastic anemia, is linked to variants affecting the gene encoding for Small ribosomal subunit protein eS17. Understanding the role of this protein could lead to novel therapeutic strategies for treating this form of anemia, which presents with macrocytic anemia, erythroblastopenia, and an increased leukemia risk.

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