Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NQR4
UPID:
NIT2_HUMAN
Alternative names:
Nitrilase homolog 2
Alternative UPACC:
Q9NQR4; B2R9A3; D3DN47; Q8WUF0
Background:
Omega-amidase NIT2, also known as Nitrilase homolog 2, plays a crucial role in cellular metabolism. It exhibits omega-amidase activity, effectively converting 2-oxoglutaramate and 2-oxosuccinamate into 2-oxoglutarate and oxaloacetate, respectively. These reactions are vital for removing potentially toxic intermediates, thereby maintaining cellular homeostasis.
Therapeutic significance:
Understanding the role of Omega-amidase NIT2 could open doors to potential therapeutic strategies. Its critical function in detoxifying harmful cellular intermediates highlights its potential as a target for developing treatments aimed at metabolic disorders.