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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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
P24864
UPID:
CCNE1_HUMAN
Alternative names:
-
Alternative UPACC:
P24864; A8K684; Q14091; Q8NFG1; Q92501; Q9UD21
Background:
G1/S-specific cyclin-E1 plays a pivotal role in cell cycle regulation, particularly at the G1/S transition, a critical phase for cell division and DNA replication. This protein's involvement in cell cycle control makes it a key player in cellular proliferation.
Therapeutic significance:
Understanding the role of G1/S-specific cyclin-E1 could open doors to potential therapeutic strategies. Its central function in cell cycle regulation positions it as a potential target for interventions in diseases characterized by uncontrolled cell growth.