• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

通过分子对接以及对一些新型环状酰亚胺和喹唑啉-2,5-二酮的体外研究开发新型抗菌药物的有效方法

Powerful Approach for New Drugs as Antibacterial Agents via Molecular Docking and In Vitro Studies of Some New Cyclic Imides and Quinazoline-2,5-diones.

作者信息

Nasser Binjawhar Dalal, Abu Ali Ola A, Alqahtani Arwa Sultan, Fayad Eman, Abo-Bakr Ahmed M, Mekhael Antonous M, Sadek Fayza M

机构信息

Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.

Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.

出版信息

ACS Omega. 2024 Apr 10;9(16):18566-18575. doi: 10.1021/acsomega.4c01176. eCollection 2024 Apr 23.

DOI:10.1021/acsomega.4c01176
PMID:38680340
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11044208/
Abstract

We generated novel elven 1,2,3,6-tetrahydrophthalimides and tetrahydroquinazoline derivatives from 1,2,3,6-tetrahydrophthalic anhydride () in response to our interest in using the anhydrides to produce heterocyclic nitrogen compounds. The elemental and spectral analyses of the produced compounds validated the recommended configurations and (Molecular Operating Environment) computations were used to perform their in silico analysis. The synthesized compounds have been analyzed and put through various experiments, including in vitro and in silico methods to assess their biological activity against Penicillin-Binding Protein 3 () and Penicillin-Binding Protein 2 (), among these compounds showing promising data as antibacterial drugs.

摘要

鉴于我们对利用酸酐制备杂环氮化合物感兴趣,我们从1,2,3,6 - 四氢邻苯二甲酸酐合成了新型的11种1,2,3,6 - 四氢邻苯二甲酰亚胺和四氢喹唑啉衍生物。所制备化合物的元素分析和光谱分析验证了推荐的结构,并使用(分子操作环境)计算对其进行了计算机模拟分析。已对合成的化合物进行了分析并开展了各种实验,包括体外和计算机模拟方法,以评估它们对青霉素结合蛋白3()和青霉素结合蛋白2()的生物活性,在这些化合物中显示出作为抗菌药物的有前景的数据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/9ab621c05b37/ao4c01176_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/f9b1edc845af/ao4c01176_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/bd05cdb31dc0/ao4c01176_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/6597a98ee093/ao4c01176_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/19aadf043fbe/ao4c01176_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/9af76505d7a6/ao4c01176_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/6b0af343f92d/ao4c01176_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/0d396a1e1a83/ao4c01176_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/9ab621c05b37/ao4c01176_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/f9b1edc845af/ao4c01176_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/bd05cdb31dc0/ao4c01176_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/6597a98ee093/ao4c01176_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/19aadf043fbe/ao4c01176_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/9af76505d7a6/ao4c01176_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/6b0af343f92d/ao4c01176_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/0d396a1e1a83/ao4c01176_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/9ab621c05b37/ao4c01176_0005.jpg

相似文献

1
Powerful Approach for New Drugs as Antibacterial Agents via Molecular Docking and In Vitro Studies of Some New Cyclic Imides and Quinazoline-2,5-diones.通过分子对接以及对一些新型环状酰亚胺和喹唑啉-2,5-二酮的体外研究开发新型抗菌药物的有效方法
ACS Omega. 2024 Apr 10;9(16):18566-18575. doi: 10.1021/acsomega.4c01176. eCollection 2024 Apr 23.
2
Cyclization of Chalcone Derivatives: Design, Synthesis, Docking Study, and Biological Evaluation of New Quinazolin-2,4-diones Incorporating Five-, Six-, and Seven-Membered Ring Moieties as Potent Antibacterial Inhibitors.查尔酮衍生物的环化:含五元、六元和七元环部分的新型喹唑啉 -2,4-二酮作为强效抗菌抑制剂的设计、合成、对接研究及生物学评价
ACS Omega. 2023 Jul 21;8(30):27216-27230. doi: 10.1021/acsomega.3c02478. eCollection 2023 Aug 1.
3
Synthesis, Characterization, Molecular Docking, In Vitro Biological Evaluation and In Vitro Cytotoxicity Study of Novel Thiazolidine-4-One Derivatives as Anti-Breast Cancer Agents.新型噻唑烷-4-酮衍生物的合成、表征、分子对接、体外生物学评价及体外细胞毒性研究作为抗乳腺癌药物。
Anticancer Agents Med Chem. 2021;21(17):2397-2406. doi: 10.2174/1871520621666210401100801.
4
Identification of Mutations in the Gene Encoding PBP2 That Reduce Carbapenem and Diazabicyclooctane Susceptibility of Escherichia coli Clinical Isolates with Mutations in (PBP3) and Which Carry .鉴定编码 PBP2 的基因突变,这些突变可降低对具有(PBP3)突变的大肠埃希菌临床分离株的碳青霉烯类和二氮杂二环辛烷类的敏感性,这些分离株携带
mSphere. 2019 Jul 3;4(4):e00074-19. doi: 10.1128/mSphere.00074-19.
5
Ultrasonic-Assisted Synthesis of Heterocyclic Curcumin Analogs as Antidiabetic, Antibacterial, and Antioxidant Agents Combined with in vitro and in silico Studies.超声辅助合成杂环姜黄素类似物作为抗糖尿病、抗菌和抗氧化剂并结合体外和计算机模拟研究
Adv Appl Bioinform Chem. 2023 Jul 28;16:61-91. doi: 10.2147/AABC.S403413. eCollection 2023.
6
Synthesis, characterization, molecular docking, and antibacterial activities of some new nitrogen-heterocyclic analogues based on a -phenolic unit.基于α-酚单元的一些新型氮杂环类似物的合成、表征、分子对接及抗菌活性
RSC Adv. 2022 Apr 26;12(20):12607-12621. doi: 10.1039/d2ra01794f. eCollection 2022 Apr 22.
7
New Route to the Synthesis of Novel Pyrazolo[1,5-a]pyrimidines and Evaluation of their Antimicrobial Activity as RNA Polymerase Inhibitors.新型吡唑并[1,5-a]嘧啶类化合物的合成新途径及其作为 RNA 聚合酶抑制剂的抗菌活性评价。
Med Chem. 2022;18(9):926-948. doi: 10.2174/1573406418666220302092414.
8
Superparamagnetic Poly(aniline-co-m-phenylenediamine)@FeO Nanocomposite as an Efficient Heterogeneous Catalyst for the Synthesis of 1-pyrazolo[1,2-]pyridazine-5,8-diones & 1-pyrazolo[1,2-]phthalazine-5, 10-diones Derivatives.超顺磁性聚(苯胺 - 间苯二胺)@FeO纳米复合材料作为合成1 - 吡唑并[1,2 - ]哒嗪 - 5,8 - 二酮和1 - 吡唑并[1,2 - ]酞嗪 - 5,10 - 二酮衍生物的高效多相催化剂
Curr Org Synth. 2022 Mar 3;19(2):246-266. doi: 10.2174/1570179418666211104143736.
9
Synthesis of New Cyclic Imides Derived from Safrole, Structure- and Ligand-based Approaches to Evaluate Potential New Multitarget Agents Against Species of Leishmania.新型芳樟醇衍生环状酰亚胺的合成,基于结构和配体的方法评估潜在的新型多靶点抗利什曼原虫药物。
Med Chem. 2020;16(1):39-51. doi: 10.2174/1573406415666190430144950.
10
In vitro and in silico antibacterial evaluation of coumarin derivatives against MDR strains of Staphylococcus aureus and Escherichia coli.体外和计算机抗菌评估香豆素衍生物对耐多药金黄色葡萄球菌和大肠杆菌株的作用。
Microb Pathog. 2023 Apr;177:106058. doi: 10.1016/j.micpath.2023.106058. Epub 2023 Mar 5.

引用本文的文献

1
Dataset on effect of cadmium and lead on chemical reactivity of selected heterocyclic compounds as potential dipeptidyl peptidase III inhibitors using method.使用该方法研究镉和铅对选定杂环化合物作为潜在二肽基肽酶III抑制剂的化学反应性影响的数据集。
Data Brief. 2025 Mar 20;60:111481. doi: 10.1016/j.dib.2025.111481. eCollection 2025 Jun.

本文引用的文献

1
The new quinazoline derivative (N-methyl-N-[(thiophen-2-yl)methyl]quinazoline-2,4-diamine) vasodilates isolated mesenteric arteries through endothelium-independent mechanisms and has acute hypotensive effects in Wistar rats.新的喹唑啉衍生物(N-甲基-N-[(噻吩-2-基)甲基]喹唑啉-2,4-二胺)通过非内皮依赖性机制舒张分离的肠系膜动脉,并在 Wistar 大鼠中具有急性降压作用。
Eur J Pharmacol. 2023 Aug 15;953:175829. doi: 10.1016/j.ejphar.2023.175829. Epub 2023 Jun 10.
2
Scoring Functions for Protein-Ligand Binding Affinity Prediction using Structure-Based Deep Learning: A Review.基于结构的深度学习预测蛋白质-配体结合亲和力的评分函数综述
Front Bioinform. 2022 Jun 17;2. doi: 10.3389/fbinf.2022.885983.
3
Antibiotic resistance in microbes: History, mechanisms, therapeutic strategies and future prospects.
微生物的抗生素耐药性:历史、机制、治疗策略和未来前景。
J Infect Public Health. 2021 Dec;14(12):1750-1766. doi: 10.1016/j.jiph.2021.10.020. Epub 2021 Oct 23.
4
Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the ACE2 Receptor.分子对接和动力学模拟揭示了血管紧张素转换酶抑制剂针对血管紧张素转换酶2受体对严重急性呼吸综合征冠状病毒2的潜在抑制活性。
Front Chem. 2021 May 4;9:661230. doi: 10.3389/fchem.2021.661230. eCollection 2021.
5
Synthesis, spectroscopic and molecular docking studies on new schiff bases, nucleosides and α-aminophosphonate derivatives as antibacterial agents.新型席夫碱、核苷和α-氨基膦酸酯衍生物作为抗菌剂的合成、光谱及分子对接研究
Saudi J Biol Sci. 2020 Dec;27(12):3481-3488. doi: 10.1016/j.sjbs.2020.09.061. Epub 2020 Oct 16.
6
Cyclic imide derivatives: As promising scaffold for the synthesis of antimicrobial agents.环状酰亚胺衍生物:作为合成抗菌剂的有前景骨架。
J Res Med Sci. 2018 Jun 6;23:53. doi: 10.4103/jrms.JRMS_539_17. eCollection 2018.
7
Molecular modeling, synthesis, antibacterial and cytotoxicity evaluation of sulfonamide derivatives of benzimidazole, indazole, benzothiazole and thiazole.苯并咪唑、吲唑、苯并噻唑和噻唑磺酰胺衍生物的分子建模、合成、抗菌和细胞毒性评价。
Bioorg Med Chem. 2018 Jul 23;26(12):3414-3428. doi: 10.1016/j.bmc.2018.05.015. Epub 2018 May 11.
8
Methods for evaluating antimicrobial activity: A review.抗菌活性评估方法:综述
J Pharm Anal. 2016 Apr;6(2):71-79. doi: 10.1016/j.jpha.2015.11.005. Epub 2015 Dec 2.
9
Novel derivatives of phthalimide with potent anticonvulsant activity in PTZ and MES seizure models.在戊四氮(PTZ)和最大电休克(MES)癫痫模型中具有强大抗惊厥活性的新型邻苯二甲酰亚胺衍生物。
Iran J Basic Med Sci. 2017 Apr;20(4):430-437. doi: 10.22038/IJBMS.2017.8586.
10
Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.耐甲氧西林金黄色葡萄球菌青霉素结合蛋白 2a 的构象动态、变构通讯网络和催化激活。
J Am Chem Soc. 2017 Feb 8;139(5):2102-2110. doi: 10.1021/jacs.6b12565. Epub 2017 Jan 27.