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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
O43316
UPID:
PAX4_HUMAN
Alternative names:
-
Alternative UPACC:
O43316; O95161; Q6B0H0
Background:
Paired box protein Pax-4 plays a crucial role in the differentiation and development of pancreatic islet beta cells. It acts as a transcriptional repressor, influencing the expression of key hormones like glucagon, insulin, and somatostatin by binding to a common element in their promoters. Pax-4's interaction with PAX6 and the presence of isoform 2, which antagonizes PAX4 activity, highlight its complex regulatory functions.
Therapeutic significance:
Pax-4's involvement in various forms of diabetes, including Type 2 diabetes mellitus, Type 1 diabetes mellitus, ketosis-prone diabetes mellitus, and Maturity-onset diabetes of the young 9, underscores its potential as a target for therapeutic intervention. Understanding Pax-4's role could lead to novel strategies for managing these conditions.