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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P08473
UPID:
NEP_HUMAN
Alternative names:
Atriopeptidase; Common acute lymphocytic leukemia antigen; Enkephalinase; Neutral endopeptidase 24.11; Skin fibroblast elastase
Alternative UPACC:
P08473; A8K6U6; D3DNJ9; Q3MIX4
Background:
Neprilysin, known for its alternative names such as Atriopeptidase and Enkephalinase, plays a crucial role in the degradation of small peptides, including opioid peptides and angiotensins. Its activity is essential in regulating various physiological processes by acting on polypeptides of up to 30 amino acids.
Therapeutic significance:
Neprilysin's involvement in diseases like Charcot-Marie-Tooth disease, axonal, 2T, and Spinocerebellar ataxia 43 highlights its potential as a therapeutic target. Understanding Neprilysin's role could open doors to potential therapeutic strategies for these neurodegenerative disorders.