Platanosides from Platanus x acerifolia: New molecules, SAR, and target validation of a strong lead for drug-resistant bacterial infections and the associated sepsis
文献类型：期刊论文
| 作者 | Wu, Xi-Ying1,2,5; Zhao, Ze-Yu1,2; Osman, Ezzat E. A.3; Wang, Xiao-Juan4,8,9; Choo, Yeun-Mun6; Benjamin, Menny M.4,8; Xiong, Juan1; Hamann, Mark T.4,8; Luo, Cheng7 ; Hu, Jin-Feng1,2,4,8
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| 刊名 | BIOORGANIC CHEMISTRY
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| 出版日期 | 2024-02-01 |
| 卷号 | 143页码:9 |
| ISSN号 | 0045-2068 |
| 关键词 | Platanus x acerifolia Platanosides Molecular ion networking (MoIN) Antibacterial Staphylococcus aureus Enterococcus faecium Structure -activity relationship (SAR) Molecular docking Target validation |
| DOI | 10.1016/j.bioorg.2024.107103 |
| 通讯作者 | Choo, Yeun-Mun(ymchoo@um.edu.my) ; Hamann, Mark T.(hamannm@musc.edu) ; Hu, Jin-Feng(jfhu@fudan.edu.cn) |
| 英文摘要 | Three undescribed (1-3) and nine known (4-12) platanosides were isolated and characterized from a bioactive extract of the May leaves of Platanus x acerifolia that initially showed inhibition against Staphylococcus aureus. Targeted compound mining was guided by an LC-MS/MS-based molecular ion networking (MoIN) strategy combined with conventional isolation procedures from a unique geographic location. The novel structures were mainly determined by 2D NMR and computational (NMR/ECD calculations) methods. Compound 1 is a rare acylated kaempferol rhamnoside possessing a truxinate unit. 6 (Z,E-platanoside) and 7 (E,E-platanoside) were confirmed to have remarkable inhibitory effects against both methicillin-resistant S. aureus (MIC: <= 16 mu g/mL) and glycopeptide-resistant Enterococcus faecium (MIC: <= 1 mu g/mL). These platanosides were subjected to docking analyses against FabI (enoyl-ACP reductase) and PBP1/2 (penicillin binding protein), both of which are pivotal enzymes governing bacterial growth but not found in the human host. The results showed that 6 and 7 displayed superior binding affinities towards FabI and PBP2. Moreover, surface plasmon resonance studies on the interaction of 1/7 and FabI revealed that 7 has a higher affinity (KD = 1.72 mu M), which further supports the above in vitro data and is thus expected to be a novel anti-antibacterial drug lead. |
| WOS关键词 | PENICILLIN-BINDING PROTEINS ; ANTI-MRSA COMPOUND ; STAPHYLOCOCCUS-AUREUS ; BUDS ; FLAVONOLS ; KAEMPFEROL-3-O-ALPHA-L-(2'',3''-DI-P-COUMAROYL)RHAMNOSIDE ; IDENTIFICATION ; METABOLITES ; DERIVATIVES ; ORIENTALIS |
| 资助项目 | National Natural Science Foundation of China[21937002] ; National Natural Science Foundation of China[81773599] ; National Natural Science Foundation of China[82003659] ; NCCIH[RO1AT0072318-01] |
| WOS研究方向 | Biochemistry & Molecular Biology ; Chemistry |
| 语种 | 英语 |
| 出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| WOS记录号 | WOS:001156541600001 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/309085]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Choo, Yeun-Mun; Hamann, Mark T.; Hu, Jin-Feng |
| 作者单位 | 1.Fudan Univ, Sch Pharm, Shanghai 201203, Peoples R China 2.Taizhou Univ, Inst Nat Med & Hlth Prod, Sch Pharmaceut Sci, Zhejiang Prov Key Lab Plant Ecol & Conservat, Taizhou 318000, Peoples R China 3.Theodor Bilharz Res Inst, Dept Med Chem, Kornaish El Nile St, Giza 12411, Egypt 4.Med Univ South Carolina, Coll Med, Charleston, SC 29425 USA 5.Tongji Univ, Sch Med, Shanghai Skin Dis Hosp, Shanghai 200443, Peoples R China 6.Univ Malaya, Fac Sci, Chem Dept, Kuala Lumpur 50603, Malaysia 7.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China 8.Med Univ South Carolina, Coll Pharm, Charleston, SC 29425 USA 9.Lanzhou Univ, Sch Pharm, Lanzhou 730000, Gansu, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Xi-Ying,Zhao, Ze-Yu,Osman, Ezzat E. A.,et al. Platanosides from Platanus x acerifolia: New molecules, SAR, and target validation of a strong lead for drug-resistant bacterial infections and the associated sepsis[J]. BIOORGANIC CHEMISTRY,2024,143:9. |
| APA | Wu, Xi-Ying.,Zhao, Ze-Yu.,Osman, Ezzat E. A..,Wang, Xiao-Juan.,Choo, Yeun-Mun.,...&Hu, Jin-Feng.(2024).Platanosides from Platanus x acerifolia: New molecules, SAR, and target validation of a strong lead for drug-resistant bacterial infections and the associated sepsis.BIOORGANIC CHEMISTRY,143,9. |
| MLA | Wu, Xi-Ying,et al."Platanosides from Platanus x acerifolia: New molecules, SAR, and target validation of a strong lead for drug-resistant bacterial infections and the associated sepsis".BIOORGANIC CHEMISTRY 143(2024):9. |
入库方式： OAI收割
来源：上海药物研究所
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