AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Napsin-A

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.

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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

O96009

UPID:

NAPSA_HUMAN

Alternative names:

Aspartyl protease 4; Napsin-1; TA01/TA02

Alternative UPACC:

O96009; Q8WWD9

Background:

Napsin-A, also known as Aspartyl protease 4, Napsin-1, and TA01/TA02, plays a crucial role in the processing of pneumocyte surfactant precursors. This protein is essential for the proper functioning of lung cells, facilitating respiratory health by aiding in the production of surfactant, a substance critical for lung function and respiratory efficiency.

Therapeutic significance:

Understanding the role of Napsin-A could open doors to potential therapeutic strategies. Its involvement in the processing of pneumocyte surfactant precursors highlights its importance in respiratory health, suggesting that targeting Napsin-A could lead to innovative treatments for lung diseases.

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