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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P30279
UPID:
CCND2_HUMAN
Alternative names:
-
Alternative UPACC:
P30279; A8K531; Q13955; Q5U035
Background:
G1/S-specific cyclin-D2 plays a pivotal role in cell cycle regulation, particularly during the G1/S transition. It forms a complex with CDK4, leading to the phosphorylation and inhibition of the retinoblastoma protein family, thus facilitating cell cycle progression. This protein's activity is a critical integrator of mitogenic and antimitogenic signals.
Therapeutic significance:
G1/S-specific cyclin-D2 is implicated in Megalencephaly-polymicrogyria-polydactyly-hydrocephalus syndrome 3, a condition characterized by brain and digit abnormalities. Targeting the cyclin D2-CDK4 complex pathway offers a promising therapeutic strategy for managing this syndrome and potentially other cell cycle-related disorders.