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 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
Q9GZN7
UPID:
ROGDI_HUMAN
Alternative names:
-
Alternative UPACC:
Q9GZN7; Q6IA00
Background:
Protein rogdi homolog, encoded by the gene with accession number Q9GZN7, plays a crucial role in human biology. While its specific functions are yet to be fully elucidated, its association with Kohlschuetter-Toenz syndrome, a severe neurological disorder, highlights its importance in neural development and function.
Therapeutic significance:
Given its link to Kohlschuetter-Toenz syndrome, characterized by developmental delay, seizures, and dental anomalies, understanding the role of Protein rogdi homolog could open doors to potential therapeutic strategies. Targeting this protein may offer new avenues for treating or managing this debilitating condition.