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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted 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
Q5VXU9
UPID:
SHOC1_HUMAN
Alternative names:
Protein ZIP2 homolog
Alternative UPACC:
Q5VXU9; A2A2V3; Q2M1H8; Q96M73
Background:
Protein shortage in chiasmata 1 ortholog, also known as Protein ZIP2 homolog, plays a pivotal role in meiosis, particularly in the formation of crossover recombination intermediates. It exhibits a strong affinity for single-stranded DNA and DNA branched structures, enhancing its ATPase activity in their presence. This protein is crucial for synaptonemal complex assembly, homologous chromosome pairing, and the recruitment of TEX11 and MSH4 to recombination intermediates.
Therapeutic significance:
Linked to Spermatogenic failure 75, a disorder characterized by male infertility due to non-obstructive azoospermia, understanding the role of Protein shortage in chiasmata 1 ortholog could open doors to potential therapeutic strategies.