Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups
文献类型：期刊论文
| 作者 | Cao, Yucheng1; Ni, Jingxuan1; Ji, Wentao1; Shang, Kangle1; Liang, Kaicheng1; Lu, Jing1; Bi, Yi1; Luo, Xiaomin2
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| 刊名 | FUTURE MEDICINAL CHEMISTRY
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| 出版日期 | 2020-05-01 |
| 卷号 | 12期号:9页码:763-774 |
| 关键词 | antifungal activity fusidic acid homology modeling molecular docking molecular dynamics simulations |
| ISSN号 | 1756-8919 |
| DOI | 10.4155/fmc-2019-0289 |
| 通讯作者 | Lu, Jing(lujing_ytu@126.com) ; Bi, Yi(beeyee_413@163.com) ; Luo, Xiaomin(xmluo@simm.ac.cn) |
| 英文摘要 | Aim: Fusidic acid (FA) is a narrow-spectrum bacteriostatic antibiotic. We inadvertently discovered that a FA derivative modified by an amino-terminal group at the 3-OH position, namely 2, inhibited the growth of Cryptococcus neoformans. Methods & results: Multiscale molecular modeling approaches were used to analyze the binding modes of 2 with eEF2. FA derivatives modified at the 3-OH position were designed based on in silico models; seven derivatives possessing different amino-terminal groups were synthesized and tested in vitro for antifungal activity against C. neoformans. Conclusion: Compound 7 had the strongest minimum inhibitory concentration. Two protonated nitrogen atoms of 7 interacted with a negative electrostatic pocket of eEF2 likely explain the superiority of 7-2. Graphical abstract |
| WOS关键词 | ELONGATION-FACTOR-G ; TRANSFER-RNA ; FUNGAL-INFECTIONS ; CRYSTAL-STRUCTURE ; RIBOSOME ; TRANSLOCATION ; RESISTANCE ; GDP ; BINDING ; TARGET |
| 资助项目 | National Natural Science Foundation of China[81603024] ; National Natural Science Foundation of China[81773563] ; Key Research Project of Shandong Province[2019GSF108177] ; Shandong Province Higher Educational Science and Technology Program[J16LM02] ; Taishan Scholar Project |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000539061800002 |
| 出版者 | FUTURE SCI LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/291671]  |
| 专题 | 新药研究国家重点实验室 |
| 通讯作者 | Lu, Jing; Bi, Yi; Luo, Xiaomin |
| 作者单位 | 1.Yantai Univ, Sch Pharm, Collaborat Innovat Ctr Adv Drug Delivery Syst & B, Key Lab Mol Pharmacol & Drug Evaluat,Minist Educ, Yantai 264005, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, 555 Zuchongzhi Rd, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cao, Yucheng,Ni, Jingxuan,Ji, Wentao,et al. Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups[J]. FUTURE MEDICINAL CHEMISTRY,2020,12(9):763-774. |
| APA | Cao, Yucheng.,Ni, Jingxuan.,Ji, Wentao.,Shang, Kangle.,Liang, Kaicheng.,...&Luo, Xiaomin.(2020).Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups.FUTURE MEDICINAL CHEMISTRY,12(9),763-774. |
| MLA | Cao, Yucheng,et al."Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups".FUTURE MEDICINAL CHEMISTRY 12.9(2020):763-774. |
入库方式： OAI收割
来源：上海药物研究所
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