Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P41743
UPID:
KPCI_HUMAN
Alternative names:
Atypical protein kinase C-lambda/iota; nPKC-iota
Alternative UPACC:
P41743; D3DNQ4; Q8WW06
Background:
Protein kinase C iota type, also known as Atypical protein kinase C-lambda/iota and nPKC-iota, plays a pivotal role in cellular processes including apoptosis prevention, NF-kappa-B activation, cell survival, differentiation, and polarity. It is crucial in microtubule dynamics within the early secretory pathway and acts in various cancer cells to promote survival and invasion.
Therapeutic significance:
Understanding the role of Protein kinase C iota type could open doors to potential therapeutic strategies. Its involvement in cell survival mechanisms and cancer cell resistance highlights its potential as a target for innovative cancer therapies.