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 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.
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.
Our high-tech, dedicated method is applied to construct 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
Q99558
UPID:
M3K14_HUMAN
Alternative names:
NF-kappa-beta-inducing kinase; Serine/threonine-protein kinase NIK
Alternative UPACC:
Q99558; A8K2D8; D3DX67; Q8IYN1
Background:
Mitogen-activated protein kinase kinase kinase 14, also known as NF-kappa-beta-inducing kinase and Serine/threonine-protein kinase NIK, plays a pivotal role in immune response regulation. It activates NF-kappa-B, a key transcription factor in inflammatory and immune responses, through the non-canonical pathway by promoting the proteolytic processing of NFKB2/P100.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase 14 could open doors to potential therapeutic strategies. Its exclusive involvement in NF-kappa-B activation positions it as a critical target for modulating immune responses in various diseases.