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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q92621
UPID:
NU205_HUMAN
Alternative names:
205 kDa nucleoporin; Nucleoporin Nup205
Alternative UPACC:
Q92621; A6H8X3; Q86YC1
Background:
Nuclear pore complex protein Nup205, also known as the 205 kDa nucleoporin, is integral to the nuclear pore complex (NPC) assembly and maintenance. It is believed to anchor NUP62 and other nucleoporins within the NPC, playing a pivotal role in nucleocytoplasmic transport.
Therapeutic significance:
Nup205 is linked to Nephrotic syndrome 13, a severe renal disorder marked by proteinuria and potential progression to end-stage renal failure. Understanding the role of Nuclear pore complex protein Nup205 could open doors to potential therapeutic strategies for this condition.