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.
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
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H6I2
UPID:
SOX17_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H6I2
Background:
Transcription factor SOX-17 plays a pivotal role in embryonic development, including heart tube formation, vascular development, and fetal hematopoiesis. It functions as a transcription regulator, binding DNA to modulate transcriptional regulation via WNT3A and inhibiting Wnt signaling, crucial for normal development and maintenance of various biological systems.
Therapeutic significance:
SOX-17's involvement in Vesicoureteral reflux 3, a congenital anomaly of the kidney and urinary tract, underscores its potential as a therapeutic target. Understanding the role of Transcription factor SOX-17 could open doors to potential therapeutic strategies for managing this condition and preventing its progression to more severe renal diseases.