Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P55273
UPID:
CDN2D_HUMAN
Alternative names:
p19-INK4d
Alternative UPACC:
P55273; Q13102; Q6FGE9
Background:
Cyclin-dependent kinase 4 inhibitor D, also known as p19-INK4d, plays a crucial role in cell cycle regulation by inhibiting the activity of CDK4 and CDK6. These interactions are vital for controlling the cell cycle progression, ensuring cells divide at the right time. The protein's ability to regulate these kinases positions it as a key player in cellular proliferation and growth control mechanisms.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 4 inhibitor D could open doors to potential therapeutic strategies. Its pivotal function in cell cycle regulation makes it a promising target for developing treatments aimed at controlling unchecked cell growth, a hallmark of cancerous cells. Exploring its mechanisms further could lead to breakthroughs in cancer therapy.