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 RING finger and CHY zinc finger domain-containing protein 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 RING finger and CHY zinc finger domain-containing protein 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 RING finger and CHY zinc finger domain-containing protein 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 RING finger and CHY zinc finger domain-containing protein 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 RING finger and CHY zinc finger domain-containing protein 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 RING finger and CHY zinc finger domain-containing protein 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.
RING finger and CHY zinc finger domain-containing protein 1
partner:
Reaxense
upacc:
Q96PM5
UPID:
ZN363_HUMAN
Alternative names:
Androgen receptor N-terminal-interacting protein; CH-rich-interacting match with PLAG1; E3 ubiquitin-protein ligase Pirh2; RING finger protein 199; RING-type E3 ubiquitin transferase RCHY1; Zinc finger protein 363; p53-induced RING-H2 protein
Alternative UPACC:
Q96PM5; B3KRG3; C7E541; C7E542; C7E543; D3YRV2; E7EMC8; E7ETW5; J3KPI0; Q2KN33; Q59GN7; Q86X26; Q96PR5
Background:
RING finger and CHY zinc finger domain-containing protein 1, known as RCHY1, plays a pivotal role in cellular processes through its E3 ubiquitin-protein ligase activity. It targets key proteins such as p53/TP53, TP73, and HDAC1 for ubiquitination, influencing cell cycle regulation and DNA damage response. RCHY1's involvement in the ribosome-associated quality control pathway highlights its critical function in managing protein synthesis and degradation.
Therapeutic significance:
Understanding the role of RING finger and CHY zinc finger domain-containing protein 1 could open doors to potential therapeutic strategies. Its ability to regulate protein stability and degradation pathways presents a unique opportunity for targeting diseases where these processes are dysregulated.
