Quantitative structure-activity relationships heterocycles

Hansch C, Verma RP (2007) Quantitative Structure-Activity Relationships of Heterocyclic Topoisomerase I and II Inhibitors. 10 43-74 Herncindez-Mateo F, see Santoyo-Gonzdlez F (2007) 7 133-177 Holt H Jr, see Brown T (2006) 2 1-51... 

Verma RP (2007) Cytotoxicity of Heterocyclic Compounds against Various Cancer Cells A Quantitative Structure-Activity Relationship Study. 9 53-86 Verma RP, see Hansch C (2007) 10 43-74 Viola G, see Gambari R (2007) 9 265-276 Voelter W, see Khan KM (2007) 7 325-346... 

Hansch and Verma contribute to the quantitative structure-activity relationship (QSAR) analysis of heterocyclic topoisomerase I and II inhibitors. These inhibitors, known to inhibit either enzyme, act as antitumor agents and are currently used in chemotherapy and in clinical trials. 

Quantitative Structure-Activity Relationships of Heterocyclic Topoisomerase 1 and 11 Inhibitors... 

Cytotoxicity of Heterocyclic Compounds against Various Cancer Cells A Quantitative Structure-Activity Relationship Study... 

Abstract Cancer is an important area of interest in the life sciences because it has been a major killer disease throughout human history. Heterocyclic molecules are well known to play a critical role in health care and pharmaceutical drug design. A number of heterocyclic compounds are available commercially as anticancer drugs. Interest in the application of structure-activity relationships has steadily increased in recent decades. Thus, development of the quantitative structure-activity relationship (QSAR) model on the cytotoxicity data of heterocyclic compound series against various cancer ceU lines should be of great importance. In this chapter, an attempt has been made to collect the... 

Schultz, T.W. 1983. Aquatic toxicologyof nitrogen heterocyclic molecules quantitative structure- activity relationships. In Aquatic Toxicology, Nriagu, J.O. (Ed.), John Wiley Sons, New York, pp. 579-612. 

Besides the applications of the electrophilicity index mentioned in the review article [40], following recent applications and developments have been observed, including relationship between basicity and nucleophilicity [64], 3D-quantitative structure activity analysis [65], Quantitative Structure-Toxicity Relationship (QSTR) [66], redox potential [67,68], Woodward-Hoffmann rules [69], Michael-type reactions [70], Sn2 reactions [71], multiphilic descriptions [72], etc. Molecular systems include silylenes [73], heterocyclohexanones [74], pyrido-di-indoles [65], bipyridine [75], aromatic and heterocyclic sulfonamides [76], substituted nitrenes and phosphi-nidenes [77], first-row transition metal ions [67], triruthenium ring core structures [78], benzhydryl derivatives [79], multivalent superatoms [80], nitrobenzodifuroxan [70], dialkylpyridinium ions [81], dioxins [82], arsenosugars and thioarsenicals [83], dynamic properties of clusters and nanostructures [84], porphyrin compounds [85-87], and so on. 

The success of compounds as new anticoagulants will depend on future progress in the development of dual thrombin and Factor Xa inhibitors, orally active with less side effects. The examination of the quantitative models for the structure activity relationships of several series of FXa and thrombin inhibitors with heterocyclic moieties allowed us to point the physicochemical properties involved in the inhibitory activity. The conclusions can be summarized as follows ... 

The third chapter, Quantitative Structure-Cytotoxicity Relationship of Bioactive Heterocycles by the Semi-empirical Molecular Orbital Method with the Concept of Absolute Hardness by Mariko Ishihara, Hiroshi Sakagami, Masami Kawase, and Noboru Motohashi, presents the relationship between the cytotoxicity (defined as 50% cytotoxic concentration) of heterocycles such as phenoxazine, 5-trifluoromethyloxazoles, O-heterocycles such as 3-formylchromone and coumarins, and vitamin K2 derivatives against some tumor cell lines and 15 chemical descriptors. The results suggest the importance of selecting the most appropriate descriptors for each cell type and compound. The review is of interest as it represents the relationship of the molecular structures with the cytotoxic activity of these heterocycles. 

Hatch FT, Colvin ME. Quantitative structure-activity (QSAR) relationships of mutagenic aromatic and heterocyclic amines. Mutat Res 1997 376 87-96. 

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