Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational-Genetic Algorithm Method

Yavuz Sevtap Caglar; Sabanci Nazmiye; Saripinar Emin

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Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational-Genetic Algorithm Method

机译：通过电子构象 - 遗传算法方法和4D-QSAR钌（II）芳烃复合物作为抗癌剂（抑制剂）的4D-QSAR研究

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Objective: The EC-GA method was employed in this study as a 4D-QSAR method, for the identification of the pharmacophore (Pha) of ruthenium(II) arene complex derivatives and quantitative prediction of activity.

机译：目的：本研究中使用EC-GA方法作为4D-QSAR方法，用于鉴定钌（II）芳烃络合物衍生物的药物团（PHA）和对活性的定量预测。

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来源
《Current computer-aided drug design》 |2018年第1期|共16页
作者
Yavuz Sevtap Caglar; Sabanci Nazmiye; Saripinar Emin;
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作者单位

Erciyes Univ Sci Fac Dept Chem TR-38039 Kayseri Turkey;

Siirt Univ Sci &

Arts Fac Dept Chem Siirt Turkey;

Erciyes Univ Sci Fac Dept Chem TR-38039 Kayseri Turkey;

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原文格式 PDF
正文语种 eng
中图分类药学;
关键词
4D-QSAR; ruthenium(II) arene complexes; pharmacophore; electron conformational-genetic algorithm method;

机译：4D-QSAR;钌（II）芳烃配合物;药物组合;电子构象 - 遗传算法方法;

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1. Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational-Genetic Algorithm Method [J] . Yavuz Sevtap Caglar, Sabanci Nazmiye, Saripinar Emin Current computer-aided drug design . 2018,第1期

机译：通过电子构象 - 遗传算法方法和4D-QSAR钌（II）芳烃复合物作为抗癌剂（抑制剂）的4D-QSAR研究
2. 4D-QSAR investigation and pharmacophore identification of pyrrolo[2,1-c][1,4]benzodiazepines using electron conformational-genetic algorithm method [J] . SAR and QSAR in Environmental Research . 2016,第4a6期

机译：吡咯并[2,1-c] [1,4]苯并二氮杂卓的4D-QSAR研究和电子构象遗传算法
3. 4D-QSAR investigation and pharmacophore identification of pyrrolo[2,1-c][1,4]benzodiazepines using electron conformational-genetic algorithm method [J] . Ozalp A., Yavuz S. C., Sabanci N., SAR and QSAR in Environmental Research . 2016,第4a6期

机译：吡咯并[2,1-c] [1,4]苯并二氮杂卓的4D-QSAR研究和电子构象遗传算法
4. Research on NCD (Naphthyridine Carbamate Dimer) Linked Arene- Ruthenium(II) Half-Sandwich Complexes [C] . Lu Ni, Yamada Takeshi, Kazuhiko Nakatani 日本化学会春季年会講演予稿集 . 2018

机译：NCD（萘甲基氨基甲酸酯二聚体）的研究连接芳烯 - 钌（II）半三明治复合物
5. IRON AND RUTHENIUM COMPLEXES POSSESSING UNUSUAL ELECTRONIC PROPERTIES. PART I: SYNTHESIS AND SPIN STATE STUDIES OF GAMMA-SUBSTITUTED TRIS(BETA-DIKETONATO)IRON(III) COMPLEXES AND THEIR BETA-KETOIMINE ANALOGUES DERIVED FROM TRIETHYLENETETRAMINE. PART II: A DIRECT MEASUREMENT OF DYNAMIC SPIN INTERCONVERSION RATES IN THE SPIN EQUILIBRIUM PROTEIN FERRIC MYOGLOBIN HYDROXIDE. PART III: SYNTHESIS, PHOTOEMISSION, AND ELECTROCHEMICAL STUDIES OF. [D] . DOSE, ERIC VON. 1978

机译：铁和钌络合物具有异常的电子特性。第一部分：γ-取代的三（三乙酮）铁（III）配合物及其三乙胺丁胺类似物的β-酮亚胺类似物的合成和自旋态研究。第二部分：纺丝平衡蛋白三水合肌红蛋白中动态纺丝互变速率的直接测量。第三部分：的合成，光生化和电化学研究。
6. Influence of the π-coordinated arene on the anticancer activity of ruthenium(II) carbohydrate organometallic complexes [O] . Muhammad Hanif, Samuel M. Meier, Alexey A. Nazarov, 2013

机译：π配位的芳烃对钌（II）碳水化合物有机金属配合物抗癌活性的影响
7. Thiophenolato-bridged dinuclear arene ruthenium complexes: a new family of highly cytotoxic anticancer agents [O] . Gras, Michaël, Therrien, Bruno, Süss-Fink, Georg, 2012

机译：硫酚基桥联双核芳烃钌配合物：一种新的高度细胞毒性抗癌药家族

Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational-Genetic Algorithm Method

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