AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nuclear pore complex protein Nup98-Nup96

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P52948

UPID:

NUP98_HUMAN

Alternative names:

-

Alternative UPACC:

P52948; Q8IUT2; Q8WYB0; Q96E54; Q9H3Q4; Q9NT02; Q9UF57; Q9UHX0; Q9Y6J4; Q9Y6J5

Background:

Nuclear pore complex protein Nup98-Nup96 plays a crucial role in nuclear pore complex assembly and maintenance, facilitating bidirectional transport across the nuclear envelope. It anchors key nucleoporins and, alongside DHX9, activates transcription and splicing of specific genes. Additionally, it interacts with HIV-1 proteins, potentially aiding viral integration into the host nucleus.

Therapeutic significance:

Understanding the role of Nuclear pore complex protein Nup98-Nup96 could open doors to potential therapeutic strategies.

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