AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nucleoporin Nup43

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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8NFH3

UPID:

NUP43_HUMAN

Alternative names:

Nup107-160 subcomplex subunit Nup43; p42

Alternative UPACC:

Q8NFH3; B4E2F0; Q9H8S0

Background:

Nucleoporin Nup43, known as Nup107-160 subcomplex subunit Nup43 or p42, plays a pivotal role in the nuclear pore complex (NPC) assembly and function. This protein is essential for the Nup107-160 subcomplex's involvement in kinetochore microtubule attachment, mitotic progression, and chromosome segregation, highlighting its critical function in cellular division and genetic stability.

Therapeutic significance:

Understanding the role of Nucleoporin Nup43 could open doors to potential therapeutic strategies. Its fundamental involvement in mitotic progression and chromosome segregation positions it as a key target for interventions in diseases characterized by abnormal cell division and genetic instability.

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