Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q7Z4M0
UPID:
RE114_HUMAN
Alternative names:
-
Alternative UPACC:
Q7Z4M0
Background:
Meiotic recombination protein REC114 plays a pivotal role in the process of meiosis, specifically required for DNA double-strand breaks (DSBs) formation in unsynapsed regions. This is achieved through a complex with IHO1 and MEI4, activating DSBs formation, a critical step for synapsis completion.
Therapeutic significance:
The involvement of Meiotic recombination protein REC114 in Oocyte/zygote/embryo maturation arrest 10, an autosomal recessive infertility disorder, highlights its potential as a target for therapeutic intervention. Understanding the role of Meiotic recombination protein REC114 could open doors to potential therapeutic strategies.