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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P12755
UPID:
SKI_HUMAN
Alternative names:
Proto-oncogene c-Ski
Alternative UPACC:
P12755; Q5SYT7
Background:
The Ski oncogene, also known as Proto-oncogene c-Ski, plays a crucial role in the differentiation of skeletal muscle cells and acts as a repressor of TGF-beta signaling. This protein is pivotal in cellular processes, influencing not only muscle cell fate but also cellular responses to growth factors.
Therapeutic significance:
Linked to Shprintzen-Goldberg craniosynostosis syndrome, a condition marked by skeletal, cardiovascular abnormalities, and developmental challenges, the Ski oncogene's study offers insights into potential therapeutic avenues. Understanding the role of Ski oncogene could open doors to potential therapeutic strategies.