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.
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.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q53G59
UPID:
KLH12_HUMAN
Alternative names:
CUL3-interacting protein 1; DKIR homolog
Alternative UPACC:
Q53G59; A6NEN8; B7Z7B8; Q9HBX5
Background:
Kelch-like protein 12 (KLHL12), also known as CUL3-interacting protein 1 or DKIR homolog, plays a pivotal role in cellular processes. It serves as a substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex, crucial for negative regulation of the Wnt signaling pathway and ER-Golgi transport. The BCR(KLHL12) complex is instrumental in ER-Golgi transport by regulating COPII coats size, essential for collagen export and embryonic stem cells division. It mediates monoubiquitination of SEC31, facilitating neural crest specification and collagen export. Additionally, it negatively regulates the Wnt signaling pathway through ubiquitination and proteolysis of DVL3.
Therapeutic significance:
Understanding the role of Kelch-like protein 12 could open doors to potential therapeutic strategies.