Physicochemical properties as a function of lomefloxacin biological activity.

Q3 Medicine

Polski Merkuriusz Lekarski Pub Date : 2024-01-01 DOI:10.36740/Merkur202402108

Noor H Naser, Falah S A Suhail, Sahar A Hussein, Shakir Shinawa Salih

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引用次数: 0

Abstract

Objective: Aim: The goal is to discover QSAR of Lomefloxacin as antibacterial activity.

Patients and methods: Materials and Methods: A number of lomefloxacins analogs activities were studied by program Windows Chem SW. The analogues were obtained and energy minimization was carried out through Molecular Modeling Program, the calculations were performed using General Atomic and Molecular Electronic Structure System (GAMESS) software.

Results: Results: There were six descriptions (N-quinoline more (-) ev charge, Kinetic Energy, Potential Energy, Log p, Log S, F6 charge) results have highly compatible of physicochemical properties with lomefloxacin analogs activities. It can be used to estimate the activities depending on QSAR equation of lomefloxacin analogs.

Conclusion: Conclusions: The parameters used for calculation were depending on the quantum chemical was employed in deriving from computational study of properties and can used to predict the activities of certain analogs of Lomefloxacins as antibacterial compounds.

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物化特性与洛美沙星生物活性的关系

目的和方法目的：旨在发现洛美沙星抗菌活性的 QSAR：材料与方法：通过 Windows Chem SW 程序研究了一些洛美沙星类似物的活性。得到的类似物通过分子建模程序进行能量最小化，计算使用通用原子和分子电子结构系统（GAMESS）软件进行：结果：结果：六种描述（N-喹啉多（-）ev 电荷、动能、势能、对数 p、对数 S、F6 电荷）的结果与洛美沙星类似物活性的理化性质高度吻合。根据洛美沙星类似物的 QSAR 方程，可用于估计其活性：结论计算中使用的参数取决于量子化学从计算研究中得出的特性，可用于预测作为抗菌化合物的某些洛美沙星类似物的活性。

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来源期刊

Polski Merkuriusz Lekarski Medicine-Medicine (all)

CiteScore

1.90

自引率

0.00%

发文量