Focused On-demand Library for Nuclear pore complex protein Nup214

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P35658

UPID:

NU214_HUMAN

Alternative names:

214 kDa nucleoporin; Nucleoporin Nup214; Protein CAN

Alternative UPACC:

P35658; A6NFQ0; Q15010; Q3KQZ0; Q5JUP7; Q75R47; Q86XD3

Background:

Nuclear pore complex protein Nup214, also known as 214 kDa nucleoporin or Protein CAN, plays a pivotal role in the nuclear pore complex. It is essential for nucleocytoplasmic transport, acting as a docking site for receptor-mediated import of substrates across the nuclear pore complex. Additionally, Nup214 is crucial for capsid disassembly of human adenovirus 5 in vitro, facilitating viral genome release to the nucleus.

Therapeutic significance:

The association of Nup214 with Encephalopathy, acute, infection-induced, 9, underscores its potential in therapeutic strategies. This autosomal recessive disorder highlights the protein's significance in disease susceptibility, emphasizing the importance of understanding Nup214's role in developing targeted treatments.