DataSheet1_含1,4-苯并噻嗪-3-酮的双酰胺衍生物作为金黄色葡萄球菌双重抑制剂的设计、合成与评估
提供1,4-苯并噻嗪-3-酮双酰胺衍生物作为金黄色葡萄球菌双重抑制剂的研究数据，包括设计、合成、活性评估及尿导管生物膜抑制，模态为文本PDF。
基本信息
资源简介
DataSheet1_含1,4-苯并噻嗪-3-酮的双酰胺衍生物作为金黄色葡萄球菌双重抑制剂的设计、合成与评估
【一句话概览】
本数据集是 figshare 公开的文本数据集，收录 1 个文件、合计 7.25 MB，主题涵盖 benzothiazine、Staphylococcus aureus、peptide deformylase、biofilm、catheter，可用于医学自然语言处理（实体识别、信息抽取等），CC BY 4.0 许可开放获取。
【数据集背景】
本数据集源站标题为《DataSheet1_Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus with plausible application in a urinary catheter.pdf》。配套论文《Bioactive Thiazine and Benzothiazine Derivatives: Green Synthesis Methods and Their Medicinal Importance》发表于 Molecules（2016），DOI：10.3390/molecules21081054。源站首次发布：2024-06-26。
【数据内容】
源站原始描述：In this study, 1,4-benzothiazine-based bisamide derivatives, a new class of antibacterial agents targeting bacterial peptide deformylase (PDF), were designed and synthesized to combat Staphylococcus aureus infection. Molecular modeling of the designed molecules showed better docking scores compared to the natural product actinonin. Bioactivity assessment identified two derivatives with promising antibacterial activity in vitro. The stability of the most active molecule, 8bE, was assessed using m…
【数据结构与技术规格】
文件数 1 个，合计 7.25 MB。数据集 DOI：10.3389/fchem.2024.1420593.s001。
【主题与分类】
源站学科分类：Geochemistry、Biochemistry、Inorganic Chemistry、Organic Chemistry、Nuclear Chemistry、Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics)。主题标签：benzothiazine、Staphylococcus aureus、peptide deformylase、biofilm、catheter、computational studies。
【适用方向】
文本类数据可用于医学自然语言处理，如命名实体识别、信息抽取与文本分类。
【获取与许可】
源站页面：https://frontiersin.figshare.com/articles/dataset/DataSheet1_Design_synthesis_and_evaluation_of_1_4-benzothiazine-3-one_containing_bisamide_derivatives_as_dual_inhibitors_of_Staphylococcus_aureus_with_plausible_application_in_a_urinary_catheter_pdf/26104276
使用许可：CC BY 4.0（https://creativecommons.org/licenses/by/4.0/）。
规范引用：Naithani, Kaushal; Das, Arka; Ushare, Mamta; Nath, Subham; Biswas, Rashmita; Kundu, Anirban; et al. (2024). DataSheet1_Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus with plausible application in a urinary cath…
下载信息
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使用方式
数据集获取（Figshare）
- 源站标题：DataSheet1_Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus with plausible application in a urinary catheter.pdf
- DOI：10.3389/fchem.2024.1420593.s001
- 发布日期：2024-06-26
- 文件数：1 个
- 文件总体积：7.25 MB
- 源站页面：https://frontiersin.figshare.com/articles/dataset/DataSheet1_Design_synthesis_and_evaluation_of_1_4-benzothiazine-3-one_containing_bisamide_derivatives_as_dual_inhibitors_of_Staphylococcus_aureus_with_plausible_application_in_a_urinary_catheter_pdf/26104276
命令行下载
curl -L -o "DataSheet1_Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus wi.pdf" "https://ndownloader.figshare.com/files/47247109"
文件清单
DataSheet1_Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus wi.pdf（7.25 MB）
文件总体积 7.25 MB（源站 API 实测）。
数据说明
In this study, 1,4-benzothiazine-based bisamide derivatives, a new class of antibacterial agents targeting bacterial peptide deformylase (PDF), were designed and synthesized to combat Staphylococcus aureus infection. Molecular modeling of the designed molecules showed better docking scores compared to the natural product actinonin. Bioactivity assessment identified two derivatives with promising antibacterial activity in vitro. The stability of the most active molecule, 8bE, was assessed using molecular dynamics (MD) simulation. Significantly, compound 8bE could also inhibit the S. aureus biofilm at low concentrations. Furthermore, the capability of the synthesized molecule to inhibit S. aureus biofilm formation on medical devices like urinary catheters is also demonstrated.
许可
CC BY 4.0
引用
学术使用请引用 DOI 10.3389/fchem.2024.1420593.s001（source: https://frontiersin.figshare.com/articles/dataset/DataSheet1_Design_synthesis_and_evaluation_of_1_4-benzothiazine-3-one_containing_bisamide_derivatives_as_dual_inhibitors_of_Staphylococcus_aureus_with_plausible_application_in_a_urinary_catheter_pdf/26104276）。
数据缺失？
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