Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O43847
UPID:
NRDC_HUMAN
Alternative names:
N-arginine dibasic convertase; Nardilysin convertase
Alternative UPACC:
O43847; A6NI41; O15241; O15242; Q5VUL0; Q96HB2; Q9NU57
Background:
Nardilysin, known for its alternative names N-arginine dibasic convertase or Nardilysin convertase, plays a pivotal role in peptide cleavage, specifically at the N-terminus of arginine residues in dibasic pairs. It is instrumental in the activation of BACE1- and ADAM17-mediated pro-neuregulin ectodomain shedding, contributing significantly to axonal maturation and myelination. Additionally, it is essential for the proper functioning of the 2-oxoglutarate dehydrogenase (OGDH) complex.
Therapeutic significance:
Understanding the role of Nardilysin could open doors to potential therapeutic strategies, particularly in enhancing axonal maturation and myelination processes.