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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P29120

UPID:
NEC1_HUMAN

ALTERNATIVE NAMES:
Prohormone convertase 1; Proprotein convertase 1

ALTERNATIVE UPACC:
P29120; B7Z8T7; E9PHA1; P78478; Q92532

BACKGROUND:
The enzyme Neuroendocrine convertase 1, with alternative names Prohormone convertase 1 and Proprotein convertase 1, is integral to the biosynthesis of various hormones and proteins. It cleaves precursors at specific sites, facilitating the activation of important molecules like POMC, renin, and insulin. This process is vital for maintaining the balance and functionality of numerous physiological systems.

THERAPEUTIC SIGNIFICANCE:
Linked to Proprotein convertase 1 deficiency, a disorder characterized by a spectrum of metabolic and endocrine abnormalities, Neuroendocrine convertase 1's function underscores its potential as a target for therapeutic intervention. Exploring its mechanisms further could lead to innovative treatments for this and potentially other metabolic syndromes.

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.