AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nuclear pore complex protein Nup93

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 employ our advanced, specialised process to create targeted 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

Q8N1F7

UPID:

NUP93_HUMAN

Alternative names:

93 kDa nucleoporin; Nucleoporin Nup93

Alternative UPACC:

Q8N1F7; B3KPQ8; Q14705

Background:

Nuclear pore complex protein Nup93, also known as a 93 kDa nucleoporin, is integral to the nuclear pore complex (NPC) assembly and maintenance. It is pivotal in anchoring nucleoporins within the NPC, excluding NUP153 and TPR. Furthermore, Nup93 plays a crucial role in renal development by regulating podocyte migration and proliferation via SMAD4 signaling pathways.

Therapeutic significance:

Nup93's involvement in Nephrotic syndrome 12, a severe renal disorder leading to end-stage renal failure, underscores its therapeutic potential. Understanding the role of Nuclear pore complex protein Nup93 could open doors to potential therapeutic strategies for this autosomal recessive disease.

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