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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75496
UPID:
GEMI_HUMAN
Alternative names:
-
Alternative UPACC:
O75496; B3KMM8; Q9H1Z1
Background:
Geminin, encoded by the gene with accession number O75496, plays a crucial role in DNA replication and cell cycle regulation. It inhibits DNA replication by preventing the MCM complex's incorporation into the pre-replication complex and is degraded during the mitotic phase. Geminin also modulates histone acetyltransferase activity of KAT7/HBO1, affecting histone H4 acetylation and DNA replication licensing.
Therapeutic significance:
Geminin's involvement in Meier-Gorlin syndrome 6, characterized by growth retardation and skeletal anomalies, underscores its potential as a therapeutic target. Understanding the role of Geminin could open doors to potential therapeutic strategies.