Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our top-notch dedicated system is used to design specialised 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
P48539
UPID:
PCP4_HUMAN
Alternative names:
Brain-specific polypeptide PEP-19; Purkinje cell protein 4
Alternative UPACC:
P48539; A6NDJ9; Q6ICS4; Q93059
Background:
The Calmodulin regulator protein PCP4, also known as Brain-specific polypeptide PEP-19 and Purkinje cell protein 4, plays a pivotal role in modulating calcium-binding by calmodulin. This regulation of calmodulin activity influences various biological processes, including neuronal differentiation through activation of calmodulin-dependent kinase signaling pathways.
Therapeutic significance:
Understanding the role of Calmodulin regulator protein PCP4 could open doors to potential therapeutic strategies.