Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y2A7
UPID:
NCKP1_HUMAN
Alternative names:
Membrane-associated protein HEM-2; p125Nap1
Alternative UPACC:
Q9Y2A7; O60329; Q53QN5; Q53S94; Q53Y35
Background:
Nck-associated protein 1, also known as Membrane-associated protein HEM-2 or p125Nap1, plays a crucial role in cellular dynamics. It is integral to the WAVE complex, facilitating lamellipodia formation through actin filament reorganization. This process is tightly regulated by its interaction with the Arp2/3 complex and RAC1. Additionally, it is essential for BDNF-NTRK2 endocytic trafficking and signaling from early endosomes.
Therapeutic significance:
Understanding the role of Nck-associated protein 1 could open doors to potential therapeutic strategies. Its pivotal function in actin remodeling and signal transduction underscores its potential as a target in diseases where these processes are dysregulated.