AI-ACCELERATED DRUG DISCOVERY
Available from Reaxense
This protein is integrated into the Receptor.AI ecosystem as a prospective target with high therapeutic potential. We performed a comprehensive characterization of Conserved oligomeric Golgi complex subunit 1 including:
1. LLM-powered literature research
Our custom-tailored LLM extracted and formalized all relevant information about the protein from a large set of structured and unstructured data sources and stored it in the form of a Knowledge Graph. This comprehensive analysis allowed us to gain insight into Conserved oligomeric Golgi complex subunit 1 therapeutic significance, existing small molecule ligands, relevant off-targets, and protein-protein interactions.
Fig. 1. Preliminary target research workflow
2. AI-Driven Conformational Ensemble Generation
Starting from the initial protein structure, we employed advanced AI algorithms to predict alternative functional states of Conserved oligomeric Golgi complex subunit 1, including large-scale conformational changes along "soft" collective coordinates. Through molecular simulations with AI-enhanced sampling and trajectory clustering, we explored the broad conformational space of the protein and identified its representative structures. Utilizing diffusion-based AI models and active learning AutoML, we generated a statistically robust ensemble of equilibrium protein conformations that capture the receptor's full dynamic behavior, providing a robust foundation for accurate structure-based drug design.
Fig. 2. AI-powered molecular dynamics simulations workflow
3. Binding pockets identification and characterization
We employed the AI-based pocket prediction module to discover orthosteric, allosteric, hidden, and cryptic binding pockets on the protein’s surface. Our technique integrates the LLM-driven literature search and structure-aware ensemble-based pocket detection algorithm that utilizes previously established protein dynamics. Tentative pockets are then subject to AI scoring and ranking with simultaneous detection of false positives. In the final step, the AI model assesses the druggability of each pocket enabling a comprehensive selection of the most promising pockets for further targeting.
Fig. 3. AI-based binding pocket detection workflow
4. AI-Powered Virtual Screening
Our ecosystem is equipped to perform AI-driven virtual screening on Conserved oligomeric Golgi complex subunit 1. With access to a vast chemical space and cutting-edge AI docking algorithms, we can rapidly and reliably predict the most promising, novel, diverse, potent, and safe small molecule ligands of Conserved oligomeric Golgi complex subunit 1. This approach allows us to achieve an excellent hit rate and to identify compounds ready for advanced lead discovery and optimization.
Fig. 4. The screening workflow of Receptor.AI
Receptor.AI, in partnership with Reaxense, developed a next-generation technology for on-demand focused library design to enable extensive target exploration.
The focused library for Conserved oligomeric Golgi complex subunit 1 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.
Conserved oligomeric Golgi complex subunit 1
partner:
Reaxense
upacc:
Q8WTW3
UPID:
COG1_HUMAN
Alternative names:
Component of oligomeric Golgi complex 1
Alternative UPACC:
Q8WTW3; Q9NPV9; Q9P2G6
Background:
The Conserved oligomeric Golgi complex subunit 1, also known as Component of oligomeric Golgi complex 1, plays a pivotal role in maintaining normal Golgi function. This protein is essential for the proper processing and sorting of proteins, ensuring they are correctly glycosylated and directed to their destination within the cell. Glycosylation, a critical post-translational modification, is crucial for protein stability, signaling, and cell-cell interactions.
Therapeutic significance:
Given its involvement in Congenital disorder of glycosylation 2G (CDG2G), a multisystem disorder characterized by defects in glycoprotein biosynthesis leading to a wide array of clinical features, understanding the role of Conserved oligomeric Golgi complex subunit 1 could open doors to potential therapeutic strategies. Targeting the underlying glycosylation defects presents a promising avenue for treating CDG2G and improving patient outcomes.
