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.
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 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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y5B8
UPID:
NDK7_HUMAN
Alternative names:
nm23-H7
Alternative UPACC:
Q9Y5B8; A8K3T6; A8MY09; B3KSW9; Q5TGZ4
Background:
Nucleoside diphosphate kinase 7 (nm23-H7) plays a pivotal role in the synthesis of nucleoside triphosphates, excluding ATP. It employs a ping-pong mechanism, transferring the ATP gamma phosphate to the NDP beta phosphate, facilitated by a phosphorylated active-site intermediate. Additionally, as a Microtubule inner protein (MIP) within the dynein-decorated doublet microtubules in cilia axoneme, it is essential for the beating of motile cilia, highlighting its significance in cellular motility.
Therapeutic significance:
Understanding the role of Nucleoside diphosphate kinase 7 could open doors to potential therapeutic strategies, particularly in disorders related to cellular energy metabolism and motility.