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.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q6PD62
UPID:
CTR9_HUMAN
Alternative names:
SH2 domain-binding protein 1
Alternative UPACC:
Q6PD62; D3DQV8; Q15015
Background:
The RNA polymerase-associated protein CTR9 homolog, also known as SH2 domain-binding protein 1, plays a pivotal role in transcription by RNA polymerase II. It is a component of the PAF1 complex, influencing embryonic stem cell pluripotency, hematopoiesis, and histone modifications. This protein is essential for the transcription of Hox and Wnt target genes, and it facilitates various histone modifications, including ubiquitination and methylation, crucial for gene expression regulation.
Therapeutic significance:
Understanding the role of RNA polymerase-associated protein CTR9 homolog could open doors to potential therapeutic strategies.