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 Complement component 1 Q subcomponent-binding protein, mitochondrial 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 Complement component 1 Q subcomponent-binding protein, mitochondrial 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 Complement component 1 Q subcomponent-binding protein, mitochondrial, 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 Complement component 1 Q subcomponent-binding protein, mitochondrial. 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 Complement component 1 Q subcomponent-binding protein, mitochondrial. 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 Complement component 1 Q subcomponent-binding protein, mitochondrial 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.
Complement component 1 Q subcomponent-binding protein, mitochondrial
partner:
Reaxense
upacc:
Q07021
UPID:
C1QBP_HUMAN
Alternative names:
ASF/SF2-associated protein p32; Glycoprotein gC1qBP; Hyaluronan-binding protein 1; Mitochondrial matrix protein p32; gC1q-R protein; p33
Alternative UPACC:
Q07021; Q2HXR8; Q9NNY8
Background:
The Complement component 1 Q subcomponent-binding protein, mitochondrial, known by alternative names such as ASF/SF2-associated protein p32 and Glycoprotein gC1qBP, plays a pivotal role in various biological processes. It is involved in inflammation, infection, ribosome biogenesis, mitochondrial protein synthesis, apoptosis regulation, transcriptional regulation, and pre-mRNA splicing. Its ability to bind to plasma proteins and act as a receptor for C1q highlights its significance in the immune response and coagulation pathways.
Therapeutic significance:
Given its involvement in Combined oxidative phosphorylation deficiency 33, a disorder with mitochondrial energy metabolism defects, understanding the role of Complement component 1 Q subcomponent-binding protein, mitochondrial could open doors to potential therapeutic strategies.
