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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96BW5
UPID:
PTER_HUMAN
Alternative names:
Parathion hydrolase-related protein
Alternative UPACC:
Q96BW5; B0YJ77; B3KTF5; D3DRU0; Q9BY46
Background:
Phosphotriesterase-related protein, also known as Parathion hydrolase-related protein, is a pivotal enzyme in the detoxification of organophosphates. Its unique ability to hydrolyze toxic compounds makes it an essential player in the biological defense mechanism against environmental toxins.
Therapeutic significance:
Understanding the role of Phosphotriesterase-related protein could open doors to potential therapeutic strategies. Its enzymatic activity against harmful organophosphates suggests a promising avenue for developing antidotes to chemical warfare agents and pesticides.