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.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P84022
UPID:
SMAD3_HUMAN
Alternative names:
JV15-2; SMAD family member 3
Alternative UPACC:
P84022; A8K4B6; B7Z4Z5; B7Z6M9; B7Z9Q2; F5H383; O09064; O09144; O14510; O35273; Q92940; Q93002; Q9GKR4
Background:
Mothers against decapentaplegic homolog 3 (SMAD3), also known as JV15-2, plays a pivotal role in the TGF-beta signaling pathway. This pathway is crucial for various cellular processes, including proliferation, differentiation, and apoptosis. SMAD3 acts as a signal transducer and transcriptional modulator, influencing the expression of numerous genes regulated by TGF-beta.
Therapeutic significance:
SMAD3's involvement in diseases such as Colorectal cancer and Loeys-Dietz syndrome 3 highlights its potential as a therapeutic target. Its role in the progression of colorectal cancer and its association with arterial aneurysms in Loeys-Dietz syndrome 3 suggest that modulating SMAD3 activity could offer new avenues for treatment strategies.