• 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

基于配体的药效团虚拟筛选鉴定新型抗念珠菌化合物。

Identification of new anti-Candida compounds by ligand-based pharmacophore virtual screening.

作者信息

Gidaro Maria Concetta, Alcaro Stefano, Secci Daniela, Rivanera Daniela, Mollica Adriano, Agamennone Mariangela, Giampietro Letizia, Carradori Simone

机构信息

a Dipartimento Di Scienze Della Salute , Università "Magna Graecia" Di Catanzaro, Campus Universitario "S. Venuta" , Catanzaro , Italy .

b Dipartimento Di Chimica E Tecnologie Del Farmaco , Sapienza Università Di Roma , Rome , Italy .

出版信息

J Enzyme Inhib Med Chem. 2016 Dec;31(6):1703-6. doi: 10.3109/14756366.2016.1156103. Epub 2016 Mar 17.

DOI:10.3109/14756366.2016.1156103
PMID:26985772
Abstract

Candida albicans represents the most prevalent microbial population in mucosal and systemic infections, usually confined to severely immunocompromised people. Considering the increase of resistant strains and the demand for new antifungal drugs endowed with innovative mechanism of action, we performed a ligand-based virtual screening in order to identify new anti-Candida compounds. Starting from a large library of natural/semisynthetic products and several published synthesized compounds, three coumarin derivatives were discovered in silico as new hit compounds and submitted to the in vitro assay in order to confirm their predicted biological activity.

摘要

白色念珠菌是黏膜和全身感染中最常见的微生物种群，通常局限于严重免疫功能低下的人群。考虑到耐药菌株的增加以及对具有创新作用机制的新型抗真菌药物的需求，我们进行了基于配体的虚拟筛选，以鉴定新的抗念珠菌化合物。从大量天然/半合成产物库和几种已发表的合成化合物开始，通过计算机模拟发现了三种香豆素衍生物作为新的命中化合物，并将其进行体外试验以确认其预测的生物活性。

相似文献

1
Identification of new anti-Candida compounds by ligand-based pharmacophore virtual screening.基于配体的药效团虚拟筛选鉴定新型抗念珠菌化合物。
J Enzyme Inhib Med Chem. 2016 Dec;31(6):1703-6. doi: 10.3109/14756366.2016.1156103. Epub 2016 Mar 17.
2
Antimicrobial activity, synergism and inhibition of germ tube formation by Crocus sativus-derived compounds against Candida spp.西红花属化合物对念珠菌属的抗菌活性、协同作用和抑制芽管形成
J Enzyme Inhib Med Chem. 2016;31(sup2):189-193. doi: 10.1080/14756366.2016.1180596. Epub 2016 May 10.
3
Comprehensive approach for the detection of antifungal compounds using a susceptible strain of Candida albicans and confirmation of in vivo activity with the Galleria mellonella model.使用白色念珠菌敏感菌株检测抗真菌化合物并通过大蜡螟模型确认体内活性的综合方法。
Phytochemistry. 2014 Sep;105:68-78. doi: 10.1016/j.phytochem.2014.06.004. Epub 2014 Jun 28.
4
Synthesis, anti-Candida activity, and cytotoxicity of new (4-(4-iodophenyl)thiazol-2-yl)hydrazine derivatives.新型（4-(4-碘苯基)噻唑-2-基）肼衍生物的合成、抗假丝酵母活性和细胞毒性。
Eur J Med Chem. 2012 Jul;53:246-53. doi: 10.1016/j.ejmech.2012.04.006. Epub 2012 Apr 14.
5
Antifungal agents. 11. N-substituted derivatives of 1-[(aryl)(4-aryl-1H-pyrrol-3-yl)methyl]-1H-imidazole: synthesis, anti-Candida activity, and QSAR studies.抗真菌剂。11. 1-[(芳基)(4-芳基-1H-吡咯-3-基)甲基]-1H-咪唑的N-取代衍生物：合成、抗念珠菌活性及定量构效关系研究
J Med Chem. 2005 Aug 11;48(16):5140-53. doi: 10.1021/jm048997u.
6
In silico and in vitro screening to identify structurally diverse non-azole CYP51 inhibitors as potent antifungal agent.通过计算机模拟和体外筛选来鉴定结构多样的非唑类CYP51抑制剂作为强效抗真菌剂。
J Mol Graph Model. 2016 Jan;63:1-7. doi: 10.1016/j.jmgm.2015.10.014. Epub 2015 Oct 31.
7
Synthesis and anti-Candidal activity of N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide.N-(4-芳基/环己基)-2-(吡啶-4-基羰基)肼基硫代甲酰胺的合成及抗念珠菌活性
Bioorg Med Chem Lett. 2014 Mar 1;24(5):1299-302. doi: 10.1016/j.bmcl.2014.01.060. Epub 2014 Jan 30.
8
Synthesis and cytotoxicity of novel (thiazol-2-yl)hydrazine derivatives as promising anti-Candida agents.新型（噻唑-2-基）腙衍生物的合成及细胞毒性研究作为有前途的抗假丝酵母菌药物。
Eur J Med Chem. 2013 Jul;65:102-11. doi: 10.1016/j.ejmech.2013.04.042. Epub 2013 May 1.
9
In vitro antifungal activity of 2,5 disubstituted amino-oksometyloso-arylo-thiadiazole derivatives.2,5-二取代氨基-氧亚甲基-芳基-噻二唑衍生物的体外抗真菌活性
Adv Med Sci. 2007;52 Suppl 1:26-9.
10
Antifungal Activity of Alkaloids Against Candida albicans.生物碱对白色念珠菌的抗真菌活性
J Calif Dent Assoc. 2016 Aug;44(8):493-8.

引用本文的文献

1
Radiolabeled Probes from Derivatives of Natural Compounds Used in Nuclear Medicine.放射性标记探针来源于核医学中天然化合物的衍生物。
Molecules. 2024 Sep 8;29(17):4260. doi: 10.3390/molecules29174260.
2
An Insight into Rational Drug Design: The Development of In-House Azole Compounds with Antimicrobial Activity.深入了解合理药物设计：具有抗菌活性的内部唑类化合物的开发。
Antibiotics (Basel). 2024 Aug 13;13(8):763. doi: 10.3390/antibiotics13080763.
3
One Century of Study: What We Learned about and How This Pathogen Contributed to Advances in Antifungal Therapy.
一个世纪的研究：我们对这种病原体的了解以及它如何推动抗真菌治疗的进展。
J Fungi (Basel). 2021 Feb 2;7(2):106. doi: 10.3390/jof7020106.
4
Novel 2,4-Disubstituted-1,3-Thiazole Derivatives: Synthesis, Anti- Activity Evaluation and Interaction with Bovine Serum Albumine.新型2,4-二取代-1,3-噻唑衍生物：合成、抗菌活性评估及其与牛血清白蛋白的相互作用
Molecules. 2020 Feb 28;25(5):1079. doi: 10.3390/molecules25051079.
5
A Novel Series of Acylhydrazones as Potential Anti- Agents: Design, Synthesis, Biological Evaluation and In Silico Studies.一种新型酰腙类化合物作为潜在的抗剂：设计、合成、生物评价和计算机模拟研究。
Molecules. 2019 Jan 6;24(1):184. doi: 10.3390/molecules24010184.
6
Comparison of two functionalized fullerenes for antimicrobial photodynamic inactivation: Potentiation by potassium iodide and photochemical mechanisms.两种功能化富勒烯在抗菌光动力灭活中的比较：碘化钾的增效作用和光化学机制。
J Photochem Photobiol B. 2018 Sep;186:197-206. doi: 10.1016/j.jphotobiol.2018.07.027. Epub 2018 Jul 27.
7
Analysis of imidazoles and triazoles in biological samples after MicroExtraction by packed sorbent.填充吸附剂微萃取后生物样品中咪唑类和三唑类的分析
J Enzyme Inhib Med Chem. 2017 Dec;32(1):1-11. doi: 10.1080/14756366.2017.1354858.
8
A complex game of hide and seek: the search for new antifungals.一场复杂的捉迷藏游戏：寻找新型抗真菌药物
Medchemcomm. 2016 Jul 1;7(7):1285-1306. doi: 10.1039/C6MD00222F. Epub 2016 May 17.
9
Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action.来自非洲崖豆藤的香豆素类抗真菌先导化合物及其预测的作用机制。
Molecules. 2016 Oct 15;21(10):1369. doi: 10.3390/molecules21101369.