Focused On-demand Library for Gastricsin

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
P20142

UPID:
PEPC_HUMAN

ALTERNATIVE NAMES:
Pepsinogen C

ALTERNATIVE UPACC:
P20142; B4DVZ3; Q5T3D7; Q5T3D8

BACKGROUND:
Gastricsin, identified by its alternative name Pepsinogen C, is an enzyme with the primary function of hydrolyzing proteins. Its activity is fundamental in the digestive process, breaking down complex proteins into simpler forms that can be easily absorbed by the body. The enzyme's specificity and efficiency in the acidic gastric environment underscore its importance in the early stages of digestion.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Gastricsin could open doors to potential therapeutic strategies. As a critical enzyme in the digestive system, targeting Gastricsin could lead to innovative treatments for digestive diseases and conditions characterized by protein malabsorption. Investigating Gastricsin's function and regulation may reveal new pathways for enhancing digestive health and nutrient uptake.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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