AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tetratricopeptide repeat protein 21B

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q7Z4L5

UPID:

TT21B_HUMAN

Alternative names:

Intraflagellar transport 139 homolog

Alternative UPACC:

Q7Z4L5; A8MUZ3; Q3LIE4; Q53T84; Q6P4A1; Q6PIF5; Q8NCN3; Q96MA4; Q9HAK8

Background:

Tetratricopeptide repeat protein 21B, also known as Intraflagellar transport 139 homolog, plays a pivotal role in the IFT complex A, crucial for retrograde ciliary transport. It is essential for the trafficking of IFT-1, IFT-B, and G protein-coupled receptors, and it negatively modulates the SHH signal transduction pathway.

Therapeutic significance:

This protein's involvement in diseases such as Nephronophthisis 12, Short-rib thoracic dysplasia 4, and Joubert syndrome 11 highlights its potential as a target for therapeutic intervention. Understanding the role of Tetratricopeptide repeat protein 21B could open doors to potential therapeutic strategies for these conditions.

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