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 our associate 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 sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96HD9
UPID:
ACY3_HUMAN
Alternative names:
Acylase III; Aminoacylase-3; Aspartoacylase-2; Hepatitis C virus core-binding protein 1
Alternative UPACC:
Q96HD9
Background:
N-acyl-aromatic-L-amino acid amidohydrolase, also known as Acylase III, Aminoacylase-3, Aspartoacylase-2, and Hepatitis C virus core-binding protein 1, plays a crucial role in deacetylating mercapturic acids in kidney proximal tubules. It also acts on N-acetyl-aromatic amino acids, showcasing its importance in metabolic processes.
Therapeutic significance:
Understanding the role of N-acyl-aromatic-L-amino acid amidohydrolase could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways highlights its potential as a target for drug discovery, aiming to address metabolic disorders.