AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Proliferating cell nuclear antigen

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

We employ our advanced, specialised process to create 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

P12004

UPID:

PCNA_HUMAN

Alternative names:

Cyclin

Alternative UPACC:

P12004; B2R897; D3DW02

Background:

Proliferating cell nuclear antigen (PCNA), also known as Cyclin, plays a pivotal role in DNA replication and repair. It enhances the processibility of DNA polymerases delta and epsilon during the elongation of the leading strand. PCNA is crucial in the DNA damage response, coordinating replication with repair and tolerance pathways by recruiting translesion polymerases and facilitating postreplication repair through its ubiquitination.

Therapeutic significance:

The involvement of PCNA in Ataxia-telangiectasia-like disorder 2, a neurodegenerative disorder characterized by developmental delay and DNA repair defects, underscores its potential as a therapeutic target. Understanding the role of PCNA could open doors to potential therapeutic strategies.

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