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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P19429
UPID:
TNNI3_HUMAN
Alternative names:
Cardiac troponin I
Alternative UPACC:
P19429
Background:
Troponin I, cardiac muscle, known as Cardiac troponin I, plays a pivotal role in cardiac muscle contraction. It acts as the inhibitory subunit within the troponin complex, crucial for calcium-sensitivity in striated muscle actomyosin ATPase activity.
Therapeutic significance:
Cardiac troponin I is implicated in various cardiomyopathies, including familial hypertrophic, restrictive, and dilated forms. These conditions underscore the protein's potential as a target for therapeutic intervention, aiming to alleviate heart failure and arrhythmias.