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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O14519
UPID:
CDKA1_HUMAN
Alternative names:
Deleted in oral cancer 1; Putative oral cancer suppressor
Alternative UPACC:
O14519; F5GYA4
Background:
Cyclin-dependent kinase 2-associated protein 1, also known as Deleted in oral cancer 1 and Putative oral cancer suppressor, plays a crucial role in cell cycle regulation by inhibiting cyclin-dependent kinase CDK2. It is a component of the histone deacetylase NuRD complex, contributing to chromatin remodeling, a process essential for gene expression and DNA repair.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 2-associated protein 1 could open doors to potential therapeutic strategies. Its involvement in cell cycle regulation and chromatin remodeling highlights its potential as a target in cancer therapy, where dysregulated cell proliferation and gene expression are common.