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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P24723
UPID:
KPCL_HUMAN
Alternative names:
PKC-L; nPKC-eta
Alternative UPACC:
P24723; B4DJN5; Q16246; Q8NE03
Background:
Protein kinase C eta type (PKC-L, nPKC-eta) is a serine/threonine-protein kinase involved in various cellular processes, including cell differentiation, tight junction integrity, and apoptosis prevention. It plays a pivotal role in keratinocyte growth arrest and differentiation by blocking epidermal growth factor receptor signaling. PKC-L is also crucial in pre-B cell receptor signaling, glioblastoma proliferation, and protecting cells from DNA damage-induced apoptosis.
Therapeutic significance:
Given its involvement in ischemic stroke and its role in regulating cell proliferation and apoptosis, targeting Protein kinase C eta type offers a promising avenue for therapeutic intervention in neurologic and oncologic disorders. Understanding the role of Protein kinase C eta type could open doors to potential therapeutic strategies.