Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
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
Q16762
UPID:
THTR_HUMAN
Alternative names:
Rhodanese
Alternative UPACC:
Q16762; B3KRM1; Q6IB06
Background:
Thiosulfate sulfurtransferase, also known as Rhodanese, plays a crucial role in the formation of iron-sulfur complexes, cyanide detoxification, and modification of sulfur-containing enzymes. Its ability to act as a sulfur ion acceptor extends beyond cyanide, showcasing versatility in its function. Additionally, it exhibits mercaptopyruvate sulfurtransferase activity, albeit weakly. A notable function includes acting alongside MRPL18 as a mitochondrial import factor for cytosolic 5S rRNA, highlighting its importance in cellular processes.
Therapeutic significance:
Understanding the role of Thiosulfate sulfurtransferase could open doors to potential therapeutic strategies.