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.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P28289
UPID:
TMOD1_HUMAN
Alternative names:
Erythrocyte tropomodulin
Alternative UPACC:
P28289; B2RB77; Q5T7W3; Q9BUF1
Background:
Tropomodulin-1, also known as Erythrocyte tropomodulin, plays a crucial role in cellular structure and function by blocking the elongation and depolymerization of actin filaments at their pointed ends. This action contributes to the formation of the short actin protofilament, essential for the geometry of the membrane skeleton. Its specific interaction with a tropomyosin isoform at the N-terminus is key in regulating actin filament organization.
Therapeutic significance:
Understanding the role of Tropomodulin-1 could open doors to potential therapeutic strategies.