AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Pachytene checkpoint protein 2 homolog

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.

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.

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.

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

Q15645

UPID:

PCH2_HUMAN

Alternative names:

Human papillomavirus type 16 E1 protein-binding protein; Thyroid hormone receptor interactor 13; Thyroid receptor-interacting protein 13

Alternative UPACC:

Q15645; C9K0T3; D3DTC0; O15324

Background:

Pachytene checkpoint protein 2 homolog, also known as Thyroid hormone receptor interactor 13, plays a pivotal role in chromosome recombination and structure development during meiosis. It is essential for the early steps in meiotic recombination, influencing crossover distribution and synaptonemal-complex formation. This protein is also crucial for the DNA double-strand breaks repair process and mitotic spindle assembly checkpoint activation.

Therapeutic significance:

The protein's involvement in mosaic variegated aneuploidy syndrome 3 and oocyte/zygote/embryo maturation arrest 9 highlights its potential as a target for therapeutic intervention. Understanding the role of Pachytene checkpoint protein 2 homolog could open doors to potential therapeutic strategies for these genetic disorders.

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