Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9BY14
UPID:
TX101_HUMAN
Alternative names:
Cell surface receptor NYD-SP8; Scleroderma-associated autoantigen; Spermatogenesis-related gene protein
Alternative UPACC:
Q9BY14; Q7L5R2; Q9BPY7
Background:
Testis-expressed protein 101, also known as Cell surface receptor NYD-SP8, Scleroderma-associated autoantigen, and Spermatogenesis-related gene protein, plays a pivotal role in fertilization. It controls the binding of sperm to the zona pellucida and facilitates the migration of spermatozoa into the oviduct. Additionally, it may be involved in signal transduction processes and promote protein tyrosine phosphorylation.
Therapeutic significance:
Understanding the role of Testis-expressed protein 101 could open doors to potential therapeutic strategies.