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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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
P48788
UPID:
TNNI2_HUMAN
Alternative names:
Troponin I, fast-twitch isoform
Alternative UPACC:
P48788; A6NIV8; A6NJU5
Background:
Troponin I, fast skeletal muscle, identified by the accession number P48788, plays a pivotal role as the inhibitory subunit within the troponin complex. This complex is crucial for calcium-sensitivity in striated muscle actomyosin ATPase activity, facilitating muscle contraction and relaxation. Alternative names include Troponin I, fast-twitch isoform, highlighting its specific function in fast skeletal muscles.
Therapeutic significance:
The protein's mutation is linked to Arthrogryposis, distal, 2B1 (DA2B1), a condition marked by congenital joint contractures. Understanding the role of Troponin I, fast skeletal muscle, could open doors to potential therapeutic strategies for DA2B1, offering hope for targeted treatments.