Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates
文献类型：期刊论文
| 作者 | Cao, Xufeng1; Xu, Yuanyuan1; Cao, Yongbing3; Wang, Ruilian3; Zhou, Ran2; Chu, Wenjing1; Yang, Yushe1
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| 刊名 | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
 |
| 出版日期 | 2015-09-18 |
| 卷号 | 102页码:471-476 |
| 关键词 | Azoles Synthesis Antifungal activity CYP51 Molecular docking |
| ISSN号 | 0223-5234 |
| DOI | 10.1016/j.ejmech.2015.08.023 |
| 文献子类 | Article |
| 英文摘要 | In order to further enhance the anti-Aspergillus efficacy of our previously discovered antifungal lead compounds (I), two series of novel azoles featuring thieno[2,3-c]pyrrolidone and thieno[3,2-clpyrroli-done nuclei were designed and evaluated for their in vitro activity on the basis of the binding mode of albaconazole using molecular docking, along with SARs of antifungal triazoles. Most of target compounds exhibited excellent activity against Candida and Cryptococcus spp., with MIC values in the range of 0.0625 mu g/ml to 0.0156 mu g/ml. The thieno[3,2-c]pyrrolidone unit was more suited for improving activity against Aspergillus spp. The most potent compound, 18a, was selected for further development due to its significant in vitro activity against Aspergillus spp. (MIC = 0.25 mu g/ml), as well as its high metabolic stability in human liver microsomes. (C) 2015 Elsevier Masson SAS. All rights reserved. |
| WOS关键词 | IN-VITRO EVALUATION ; TRIAZOLE DERIVATIVES ; MOLECULAR DOCKING ; METABOLIC STABILITY ; AZOLE ANTIFUNGALS ; AGENTS ; DISCOVERY ; OPTIMIZATION ; SOLUBILITY |
| 资助项目 | National Science and Technology Major Project[00000000] ; Key New Drug Creation and Manufacturing Program, China[2014ZX09101004-003] ; National Natural Science Foundation of China[21402223] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000361922600041 |
| 出版者 | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/276394]  |
| 专题 | 药物化学研究室 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Yang, Yushe |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 3.Second Mil Med Univ, Sch Pharm, Shanghai 200433, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Cao, Xufeng,Xu, Yuanyuan,Cao, Yongbing,et al. Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2015,102:471-476. |
| APA | Cao, Xufeng.,Xu, Yuanyuan.,Cao, Yongbing.,Wang, Ruilian.,Zhou, Ran.,...&Yang, Yushe.(2015).Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,102,471-476. |
| MLA | Cao, Xufeng,et al."Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 102(2015):471-476. |
入库方式： OAI收割
来源：上海药物研究所
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