Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our high-tech, dedicated method is applied to construct targeted 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
Q96M69
UPID:
LRGUK_HUMAN
Alternative names:
-
Alternative UPACC:
Q96M69; Q2M3I1
Background:
Leucine-rich repeat and guanylate kinase domain-containing protein plays a pivotal role in sperm assembly, influencing acrosome attachment, sperm head shaping, and axoneme development. Its involvement in these processes is crucial for reproductive biology, highlighting its significance in the early stages of sperm cell formation.
Therapeutic significance:
Understanding the role of Leucine-rich repeat and guanylate kinase domain-containing protein could open doors to potential therapeutic strategies. Its critical function in sperm assembly positions it as a key target for addressing reproductive health issues.