Antitumor studies. Part 1: Design, synthesis, antitumor activity, and AutoDock study of 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides as a new class of antitumor agents
| Autor: | Shinji Miura, Eiichi Akaho, Hiroyuki Hayakawa, Hamed I. Ali, Hiroto Kambara, Hisao Ikeya, Fumio Yoneda, Yutaka Kawashima, Tomohisa Nagamatsu, Keiichiro Tomita, Takehiro Yamagishi, Noriyuki Ashida |
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| Rok vydání: | 2007 |
| Předmět: |
Models
Molecular Time Factors Protein Conformation Stereochemistry Flavin analog Clinical Biochemistry Pharmaceutical Science Antineoplastic Agents Stereoisomerism Ligands Biochemistry Structure-Activity Relationship Nude mouse In vivo Cell Line Tumor Flavins Drug Discovery Humans Structure–activity relationship Computer Simulation antitumor activity Binding site Molecular Biology IC50 Cell Proliferation Binding Sites Molecular Structure biology Chemistry Organic Chemistry Oxides protein tyrosine kinase AutoDock biology.organism_classification Protein Structure Tertiary Cell culture Drug Design Molecular Medicine Drug Screening Assays Antitumor |
| Zdroj: | Bioorganic & Medicinal Chemistry. 15:242-256 |
| ISSN: | 0968-0896 |
| Popis: | Novel 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides were prepared as a new class of antitumor agents and showed significant antitumor activities against NCI-H 460, HCT 116, A 431, CCRF-HSB-2, andKB cell lines. In vivo investigation, 2-deoxo-10-methyl-2-phenyl-5-deazaflavin exhibited the effective antitumor activity against A 431 human adenocarcinoma cells transplanted subcutaneously into nude mouse. Furthermore, AutoDock study has been done by binding of the flavin analogs into PTK pp60(c-src), where a good correlation between their IC(50) and AutoDock binding free energy was exhibited. In particular, 2-deoxo-2-phenylflavin-5-oxides exhibited the highest potential binding affinity within the binding pocket of PTK. |
| Databáze: | OpenAIRE |
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