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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q7RTZ1
UPID:
OVCH2_HUMAN
Alternative names:
Oviductin
Alternative UPACC:
Q7RTZ1
Background:
Ovochymase-2, alternatively known as Oviductin, plays a crucial role in reproductive biology. It is implicated in the processing of sperm ADAM3, a process essential for sperm's fertilizing ability. Its endopeptidase activity, demonstrated in vitro, underscores its functional significance in sperm maturation and fertilization processes.
Therapeutic significance:
Understanding the role of Ovochymase-2 could open doors to potential therapeutic strategies. Its pivotal role in sperm fertilization positions it as a key target for addressing infertility issues, offering new avenues for therapeutic intervention.