Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 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
Q86WS5
UPID:
TMPSC_HUMAN
Alternative names:
-
Alternative UPACC:
Q86WS5; B9ZVX2
Background:
Transmembrane protease serine 12 plays a pivotal role in male fertility, influencing sperm capacitation, acrosome reactions, and spermatogenesis. It regulates pathways crucial for chromosomal synapsis, double-strand break repair, mitochondrial membrane cristae formation, and apoptosis in sperm development. Additionally, it is essential for sperm motility and zona pellucida binding, potentially through ADAM3 protein maturation.
Therapeutic significance:
Understanding the role of Transmembrane protease serine 12 could open doors to potential therapeutic strategies.