AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tetratricopeptide repeat protein 21A

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 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q8NDW8

UPID:

TT21A_HUMAN

Alternative names:

Stress-inducible protein 2

Alternative UPACC:

Q8NDW8; A1L388; B4DYF6; B4DYJ3; D3YTE7; D4PHA5; Q6P5W8; Q8N7G5; Q8NA02

Background:

Tetratricopeptide repeat protein 21A, also known as Stress-inducible protein 2, plays a crucial role in spermatogenesis. It is essential for sperm flagellar formation and intraflagellar transport, facilitating the movement and structural integrity of sperm cells.

Therapeutic significance:

Spermatogenic failure 37, a disorder marked by asthenoteratozoospermia, is directly linked to mutations in the gene encoding this protein. Understanding the role of Tetratricopeptide repeat protein 21A could open doors to potential therapeutic strategies for treating infertility.

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