Modeling of the anticancer action for radical derivatives of nitroazoles: Quantitative Structure-Activity Relationship (QSAR) study

Cancer Biotherapy and Radiopharmaceuticals

Volumn 17, Issue 2, 2002, Pages 193-203

  Khlebnikov, Andrei ^a   Schepetkin, Igor ^b   Kwon, Byoung Se ^b  

^a ALTAI STATE TECHNICAL UNIVERSITY   (Russian Federation)

^b University of Ulsan   (South Korea)

Author keywords

Anti tumor drugs; Nitroazoles; Quantitative structure activity relationships; Radiosensitizers

Indexed keywords

2 (2 NITRO 1 IMIDAZOLYLMETHOXY) 1,3 PROPANEDIOL; 2,2 DIFLUORO N (2 HYDROXYETHYL) 3 (2 NITRO 1 IMIDAZOLYL)PROPIONAMIDE; ANION; ANTINEOPLASTIC AGENT; FUNCTIONAL GROUP; LIGAND; METRONIDAZOLE; NITRO DERIVATIVE; NITROAZOLE DERIVATIVE; NITROSO DERIVATIVE; RADICAL; RADIOSENSITIZING AGENT; SENAZOLE; UNCLASSIFIED DRUG;

ANIMAL EXPERIMENT; ANIMAL MODEL; ANTINEOPLASTIC ACTIVITY; ARTICLE; COLONY FORMATION; CONTROLLED STUDY; DRUG CONFORMATION; DRUG MECHANISM; DRUG STRUCTURE; ELECTRON; GEOMETRY; HYDROPHOBICITY; MATHEMATICAL MODEL; MELANOMA; METASTASIS INHIBITION; METHODOLOGY; MOLECULAR INTERACTION; MOLECULAR SIZE; MOUSE; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REDUCTION; TREATMENT OUTCOME;

EID: 0036253363     PISSN: 10849785     EISSN: None     Source Type: Journal    
DOI: 10.1089/108497802753773810     Document Type: Article

References (39)

1. Fluorine modification of nitroazole radiosensitizers for the enhancement of sensitizing activity with lowering toxicity: A pharmacokinetic characterization
2. Importance of tumor affinity of nitroazoles in hypoxic radiosensitization
3. Bioreductive therapies: An overview of drugs and their mechanisms of action
4. Role of NADPH: Cytochrome P450 reductase in the hypoxic accumulation and metabolism of BRU59-21, a technetium-99m-nitroimidazole for imaging tumor hypoxia
5. Technetium-99mcyclam AK 2123: A novel marker for tumor hypoxia
6. Apoptosis and 1-methyl-2-nitroimidazole toxicity in CHO cells
7. Covalent interaction of 5-nitroimidazoles with DNA and protein in vitro: Mechanism of reductive activation
8. PR-000350, a novel hypoxic radiosensitizer, enhances tumor cell killing by promoting apoptosis preferentially in the S-phase fraction
9. Nitroreductase-induced binding of nitroaromatic radiosensitizers to unsaturated lipids. Nitroxyl adducts
10. Properties of 2-hydroxylaminoimidazoles and their implications for the biological effects of 2-nitroimidazoles
11. Lung metastasis suppression of the bifunctional new radiosensitizer KIN-806
12. Immune response to haptenized tumor antigen as possible mechanism of anticancer action of hypoxic bioreductive agents at low doses
13. Further evaluation of the quantitative structure-activity relationship for skin-sensitizing alkyl transfer agents
14. Redox-modulated pathways in inflammatory skin diseases
15. Antioxidant regulation of genes encoding enzymes that detoxify xenobiotics and carcinogens
16. Glutathione and glutathione-dependent enzymes represent a co-ordinately regulated defence against oxidative stress
17. QSAR of acridines. II. Features of nitracrine analogs for high antitumor activity and selectivity on mice, searched by PCA and MRA methods
18. Multivariate QSAR analysis of a skin sensitization database
19. Structure-activity relationships for contact allergenic potential of γ,γ-dimethyl-γ-butyrolactone derivatives. 2. Quantitative structure-skin sensitization relationships for α-substituted-α-methyl-γ,γ-dimethyl-γ- butyrolactones
20. Quantitative structure-activity relationships: Sulfonate esters in the local lymph node assay
21. Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity
22. Comparative QSAR evidence for a free-radical mechanism of phenol-induced toxicity
23. Prediction of initial reduction potentials of compounds related to anthracyclines and implications for estimating cardiotoxicity
24. The frontal polygon method for conformationally flexible molecules. Structure-activity relationship in the series of Baker triazines-dihydrofolate reductase inhibitors
25. Frontal polygon method: A new approach to the analysis of structure-biological activity relationships
26. Strategies for indirect computer-aided drug design
27. Quantitative structure-activity analysis of the algae toxicity of nitroaromatic compounds
28. Side chain structure of nitroasoles and anti-tumor activities in B16 melanoma bearing mouse by ultra low dose administration
29. Binding to cellular macromolecules as a possible mechanism for the cytotoxicity of misonidazole
30. An algorithm for determining local similarity of molecules
31. Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships. A demonstration using Escherichia coli dihydrofolate reductase inhibitors
32. Ground states of molecules. 38. The MNDO method. Approximation and parameters
33. Principal component analysis and partial least squares regression
34. Production of superoxide by human malignant melanoma cells
35. Misonidazole-glutathione conjugates in CHO cells
36. Glutathione protects metastatic melanoma cells against oxidative stress in the murine hepatic microvasculature
37. Growth-associated changes in glutathione content correlate with liver metastatic activity of B16 melanoma cells
38. Evaluation of the genotoxic activity of metronidazole and dimetridazole in human lymphocytes by the comet assay
39. Sanazole as substrate of xanthine oxidase and microsomal NADPH/cytochrome P450 reductase