AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Perforin-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P14222

UPID:

PERF_HUMAN

Alternative names:

Cytolysin; Lymphocyte pore-forming protein

Alternative UPACC:

P14222; B2R6X4; Q59F57; Q86WX7

Background:

Perforin-1, also known as Cytolysin or Lymphocyte pore-forming protein, is a pivotal component in the immune system's arsenal against virus-infected or neoplastic cells. It functions by forming pores in the membrane of target cells, facilitating the uptake of cytotoxic granzymes, leading to cell cytolysis and apoptosis. This process is crucial for the elimination of cells recognized as non-self, including in scenarios such as transplant rejection and certain autoimmune diseases.

Therapeutic significance:

The involvement of Perforin-1 in Hemophagocytic lymphohistiocytosis, a rare immune dysregulation disorder, underscores its therapeutic significance. Understanding the role of Perforin-1 could open doors to potential therapeutic strategies for managing this condition, highlighting the importance of targeted research in uncovering novel treatment avenues.

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