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.
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 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.
We use our state-of-the-art dedicated workflow for designing focused 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
Q14746
UPID:
COG2_HUMAN
Alternative names:
Component of oligomeric Golgi complex 2; Low density lipoprotein receptor defect C-complementing protein
Alternative UPACC:
Q14746; Q86U99
Background:
The Conserved oligomeric Golgi complex subunit 2, also known as Component of oligomeric Golgi complex 2 and Low density lipoprotein receptor defect C-complementing protein, plays a pivotal role in maintaining normal Golgi morphology and function. This protein is essential for the proper processing and modification of proteins and lipids, which are critical for cell function and survival.
Therapeutic significance:
Linked to Congenital disorder of glycosylation 2Q, a severe multisystem disorder, the protein's dysfunction underscores the importance of glycoprotein biosynthesis in human health. Understanding its role could lead to novel therapeutic strategies for treating this and potentially other glycosylation disorders.