Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles

Laczkowski Krzysztof Z.; Biernasiuk Anna; Baranowska-Laczkowska Angelika; Misiura Konrad; Malm Anna; Plech Tomasz; Paneth Agata

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Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles

机译：基于4-甲酰基苯甲酸的噻唑的合成，抗菌活性，与核碱基的相互作用和分子对接研究

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Background: Synthesis, characterization and investigation of antibacterial activity of ten novel Schiff base derivatives of 4-formylbenzoic acid is presented. Their structures were determined using H-1 and C-13 NMR, EI(+)-MS and elemental analyses. Additionally, DFT calculations of interaction energies in complexes of the novel drugs and DNA bases are carried out.

机译：背景：介绍了十种新型的4-甲酰基苯甲酸希夫碱衍生物的合成，表征和抗菌活性。使用H-1和C-13 NMR，EI（+）-MS和元素分析确定其结构。此外，还进行了新药与DNA碱基复合物中相互作用能的DFT计算。

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《Medicinal chemistry》 |2016年第6期|共10页
作者
Laczkowski Krzysztof Z.; Biernasiuk Anna; Baranowska-Laczkowska Angelika; Misiura Konrad; Malm Anna; Plech Tomasz; Paneth Agata;
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正文语种 eng
中图分类医用化学;
关键词
Benzoic acid; thiazole; nucleobase; antimicrobial drugs; molecular docking; hydrogen bonding; DFT study;

机译：苯甲酸;噻唑;核碱基;抗菌药物;分子对接;氢键;DFT研究;

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1. Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles [J] . Laczkowski Krzysztof Z., Biernasiuk Anna, Baranowska-Laczkowska Angelika, Medicinal chemistry . 2016,第6期

机译：基于4-甲酰基苯甲酸的噻唑的合成，抗菌活性，与核碱基的相互作用和分子对接研究
2. Interaction of Amino Acid Schiff Base Metal Complexes with DNA/BSA Protein and Antibacterial Activity: Spectral Studies, DFT Calculations and Molecular Docking Simulations [J] . Neelakantan M. A., Balamurugan K., Balakrishnan Chithiraivel, Applied Organometallic Chemistry . 2018,第4期

机译：氨基酸席夫碱基金属配合物与DNA / BSA蛋白和抗菌活性的相互作用：光谱研究，DFT计算和分子对接模拟
3. A Facile Synthesis of Hydroxamic Acids of N-alpha-Protected Amino Acids Employing BDMS, a Study of Their Molecular Docking and Their Antibacterial Activities [J] . Uma K., Lalithamba H. S., Chandramohan V., Organic Preparations and Procedures International: The New Journal for Organic Synthesis . 2019,第1a3期

机译：使用BDMS的N-α保护氨基酸的羟肟酸的容易合成，其分子对接的研究及其抗菌活性
4. Antibacterial Activity and Molecular Docking Studies of Series Hydroxyxanthone [C] . E. Yuanita, I M. Sudarma, N. M. Sudewiningsih, International Conference of the Indonesian Chemical Society . 2020

机译：羟基吡啶系列抗菌活性及分子对接研究
5. Knowledge-based elastic potentials for docking drugs with nucleic acids and applications in the study of DNA hydration and protein -DNA interactions. [D] . Ge, Wei. 2002

机译：基于知识的弹性势能，可将药物与核酸对接，并在DNA水化和蛋白质-DNA相互作用的研究中得到应用。
6. Design and Synthesis of Novel 13-Thiazole and 2-Hydrazinyl-13-Thiazole Derivatives as Anti-Candida Agents: In Vitro Antifungal Screening Molecular Docking Study and Spectroscopic Investigation of their Binding Interaction with Bovine Serum Albumin [O] . Andreea-Iulia Pricopie, Ioana Ionuț, Gabriel Marc, 2019

机译：新型13-噻唑和2-肼基-13-噻唑衍生物作为抗念珠菌药物的设计与合成：体外抗真菌筛选分子对接研究以及与牛血清白蛋白结合相互作用的光谱研究
7. Synthesis, anticancer activity and molecular docking study of Schiff base complexes containing thiazole moiety [O] . Mokhles M. Abd-Elzaher, Ammar A. Labib, Hanan A. Mousa, 2016

机译：含噻唑部分席夫碱配合物的合成，抗癌活性及分子对接研究

Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles

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