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 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
P48431
UPID:
SOX2_HUMAN
Alternative names:
-
Alternative UPACC:
P48431; Q14537
Background:
Transcription factor SOX-2 plays a pivotal role in embryonic development and stem cell pluripotency. It forms a trimeric complex with OCT4, regulating genes essential for development such as YES1, FGF4, UTF1, and ZFP206. SOX-2 is crucial for maintaining neural cells in an undifferentiated state, suppressing neuronal differentiation.
Therapeutic significance:
SOX-2's involvement in Microphthalmia, syndromic, 3, a disease characterized by eye malformations and esophageal atresia, highlights its potential as a therapeutic target. Understanding SOX-2's role could lead to novel treatments for this and related developmental disorders.