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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96QP1
UPID:
ALPK1_HUMAN
Alternative names:
Chromosome 4 kinase; Lymphocyte alpha-protein kinase
Alternative UPACC:
Q96QP1; B4E3G1; F5H138; Q68CI9; Q6P9F9; Q6ZNK4; Q9P201
Background:
Alpha-protein kinase 1, also known as Chromosome 4 kinase and Lymphocyte alpha-protein kinase, plays a pivotal role in the innate immune response. It detects bacterial pathogen-associated molecular pattern metabolites, initiating critical steps for pathogen elimination and adaptive immunity engagement. This kinase specifically recognizes ADP-D-glycero-beta-D-manno-heptose, a potent PAMP present in various bacteria, stimulating kinase activity for pro-inflammatory signaling.
Therapeutic significance:
Alpha-protein kinase 1's involvement in Retinal dystrophy, optic nerve edema, splenomegaly, anhidrosis, and migraine headache syndrome highlights its potential as a therapeutic target. Understanding the role of Alpha-protein kinase 1 could open doors to potential therapeutic strategies for this complex disorder.