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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NC96
UPID:
NECP1_HUMAN
Alternative names:
NECAP endocytosis-associated protein 1
Alternative UPACC:
Q8NC96; Q2NL73; Q5XG95; Q6NWY6; Q8N153; Q8NCB0; Q9BU52; Q9Y407
Background:
Adaptin ear-binding coat-associated protein 1, also known as NECAP endocytosis-associated protein 1, plays a crucial role in endocytosis. This process is vital for cellular function, allowing cells to absorb external substances.
Therapeutic significance:
The protein is linked to Developmental and epileptic encephalopathy 21, a condition marked by severe seizures and developmental delays. Understanding the role of Adaptin ear-binding coat-associated protein 1 could open doors to potential therapeutic strategies.