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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q5SRE5
UPID:
NU188_HUMAN
Alternative names:
-
Alternative UPACC:
Q5SRE5; Q14675; Q2TA87; Q7Z3K8; Q8IWF1
Background:
Nucleoporin NUP188 is a crucial component of the nuclear pore complex (NPC), essential for the regulation of nucleocytoplasmic transport. This protein plays a pivotal role in ensuring proper protein transport into the nucleus, a process fundamental for maintaining cellular function and integrity.
Therapeutic significance:
The association of Nucleoporin NUP188 with Sandestig-Stefanova syndrome, a condition marked by severe developmental anomalies, underscores its critical biological significance. Understanding the role of Nucleoporin NUP188 could open doors to potential therapeutic strategies for this and related disorders.