Focused On-demand Library for Nuclear pore complex protein Nup214

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.