AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for p53 apoptosis effector related to PMP-22

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96FX8

UPID:

PERP_HUMAN

Alternative names:

Keratinocyte-associated protein 1; P53-induced protein PIGPC1; Transmembrane protein THW

Alternative UPACC:

Q96FX8; B2RB73; E1P590; Q8IWS3; Q8N1J6; Q8NC16; Q9H1C5; Q9H230

Background:

The p53 apoptosis effector related to PMP-22, also known as Keratinocyte-associated protein 1, P53-induced protein PIGPC1, and Transmembrane protein THW, plays a crucial role in maintaining stratified epithelial integrity. It is a component of intercellular desmosome junctions, promoting desmosome assembly and cell-cell adhesion. Additionally, it serves as an effector in the TP53-dependent apoptotic pathway, highlighting its multifaceted role in cellular integrity and apoptosis.

Therapeutic significance:

Linked to Erythrokeratodermia variabilis et progressiva 7 and Olmsted syndrome 2, this protein's involvement in skin disorders underscores its therapeutic potential. Understanding the role of p53 apoptosis effector related to PMP-22 could open doors to potential therapeutic strategies for these genodermatoses, offering hope for targeted treatments.

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