AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nuclear pore complex protein Nup107

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

P57740

UPID:

NU107_HUMAN

Alternative names:

107 kDa nucleoporin; Nucleoporin Nup107

Alternative UPACC:

P57740; B4DZ67; Q6PJE1

Background:

Nuclear pore complex protein Nup107, also known as a 107 kDa nucleoporin, is pivotal in nuclear pore complex (NPC) assembly and maintenance. It facilitates the integration of peripheral proteins into the NPC and may anchor NUP62 to the NPC. Additionally, Nup107 plays a crucial role in nephrogenesis, highlighting its significance in cellular structure and organ development.

Therapeutic significance:

Nup107's involvement in diseases such as Nephrotic syndrome 11, Ovarian dysgenesis 6, and Galloway-Mowat syndrome 7 underscores its potential as a target for therapeutic intervention. Understanding the role of Nuclear pore complex protein Nup107 could open doors to potential therapeutic strategies, especially for conditions lacking effective treatments.

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