Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 is unique due to several crucial aspects:
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.