AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Selenocysteine insertion sequence-binding protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 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

Reaxense

upacc

Q96T21

UPID:

SEBP2_HUMAN

Alternative names:

-

Alternative UPACC:

Q96T21; F8W892; Q5HYY1; Q7L1Z0; Q8IYC0; Q9H0A1

Background:

Selenocysteine insertion sequence-binding protein 2, encoded by the gene with accession number Q96T21, plays a pivotal role in the synthesis of selenoproteins. It specifically binds to the SECIS element in the 3'-UTR of mRNAs encoding selenoproteins, a process that is enhanced by SELB. This binding is crucial for the incorporation of selenocysteine into proteins, an essential step in selenoprotein synthesis.

Therapeutic significance:

The protein is linked to 'Thyroid hormone metabolism, abnormal, 1', a disorder stemming from reduced activity of type II iodothyronine deiodinase. Understanding the role of Selenocysteine insertion sequence-binding protein 2 could open doors to potential therapeutic strategies for managing thyroid hormone-related disorders.

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