Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P10323
UPID:
ACRO_HUMAN
Alternative names:
-
Alternative UPACC:
P10323; Q6ICK2
Background:
Acrosin, identified by the accession number P10323, plays a pivotal role in mammalian reproduction. As the principal protease in spermatozoa, acrosin exhibits serine protease activity with trypsin-like cleavage specificity. It originates in a precursor form, proacrosin, and is stored within the acrosome, ready to facilitate sperm penetration through the egg's protective layers.
Therapeutic significance:
Understanding the role of Acrosin could open doors to potential therapeutic strategies. Its critical function in fertilization positions it as a key target for developing contraceptives or treatments for infertility.