Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 use our state-of-the-art dedicated workflow for designing 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q7RTY7
UPID:
OVCH1_HUMAN
Alternative names:
-
Alternative UPACC:
Q7RTY7
Background:
Ovochymase-1, a novel protein, plays a crucial role in various biological processes. Its unique structure and function position it as a key player in the cellular machinery, facilitating a wide range of biochemical reactions. The exploration of Ovochymase-1's activities and interactions within the cell offers valuable insights into its mechanisms of action.
Therapeutic significance:
Understanding the role of Ovochymase-1 could open doors to potential therapeutic strategies. While its direct involvement in diseases remains to be discovered, the protein's fundamental role in cellular processes suggests that it could be a significant target for drug development, offering new avenues for treating a variety of conditions.