Artikel ; Online: Structure-Based Virtual Screening for Novel Inhibitors Targeting KRAS G12C.
Studies in health technology and informatics
2023 Band 308, Seite(n) 568–573
Abstract: KRAS is a protein that is critical to cell activation, but when it becomes mutated, it can contribute to the development of cancer. There is an urgent need for reliable and effective drugs to treat cancer, and KRAS G12C has been a major focus of research ...
Abstract | KRAS is a protein that is critical to cell activation, but when it becomes mutated, it can contribute to the development of cancer. There is an urgent need for reliable and effective drugs to treat cancer, and KRAS G12C has been a major focus of research in this area. In this study, we used structure-based virtual screening to search for novel inhibitors that can target KRAS G12C. Specifically, we conducted a search for inhibitors that bind to the protein's P2 pocket, which can trap the oncoprotein in an inactive GDP-bound state. Using quantitative analysis and virtual screening, we identified a set of eight potential inhibitors that have the potential to become the next generation of drugs to treat cancer. These findings offer new insights into the mechanisms underlying KRAS G12C inhibition and provide a promising avenue for future drug development efforts. |
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Mesh-Begriff(e) | Humans ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use ; Mutation ; Proto-Oncogene Proteins p21(ras)/genetics ; Proto-Oncogene Proteins p21(ras)/metabolism ; Proto-Oncogene Proteins p21(ras)/therapeutic use ; Cell Line, Tumor ; Lung Neoplasms |
Chemische Substanzen | Antineoplastic Agents ; Proto-Oncogene Proteins p21(ras) (EC 3.6.5.2) ; KRAS protein, human |
Sprache | Englisch |
Erscheinungsdatum | 2023-11-26 |
Erscheinungsland | Netherlands |
Dokumenttyp | Journal Article |
ISSN | 1879-8365 |
ISSN (online) | 1879-8365 |
DOI | 10.3233/SHTI230886 |
Datenquelle | MEDical Literature Analysis and Retrieval System OnLINE |
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