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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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
O14579
UPID:
COPE_HUMAN
Alternative names:
Epsilon-coat protein
Alternative UPACC:
O14579; A6NE29; A6NKA3; O76097; Q6IBB8; Q9UGP6
Background:
The Coatomer subunit epsilon, also known as Epsilon-coat protein, plays a pivotal role in cellular transport. It is a part of the coatomer complex involved in transporting proteins from the ER through the Golgi apparatus to their final destinations. This process is crucial for maintaining cellular function and integrity, highlighting the protein's significance in intracellular logistics.
Therapeutic significance:
Understanding the role of Coatomer subunit epsilon could open doors to potential therapeutic strategies. Its involvement in protein transport and Golgi apparatus function suggests that targeting this protein could influence cellular processes fundamental to disease pathology.