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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8IYV9
UPID:
IZUM1_HUMAN
Alternative names:
Oocyte binding/fusion factor; Sperm-specific protein izumo
Alternative UPACC:
Q8IYV9; Q6Q8P6; Q6Q8P7
Background:
Izumo sperm-egg fusion protein 1, also known as a crucial sperm cell-surface protein, plays a pivotal role in fertilization by serving as a ligand for the IZUMO1R/JUNO receptor on the egg. This interaction is essential for sperm-egg adhesion, a prerequisite for fertilization, though not sufficient for cell fusion. Additionally, it acts as a ligand for FCRL3/MAIA, facilitating species-specific gamete fusion.
Therapeutic significance:
Understanding the role of Izumo sperm-egg fusion protein 1 could open doors to potential therapeutic strategies.