title: New biscoumarin derivatives: synthesis, crystal structure, theoretical study and antibacterial activity against Staphylococcus aureus.
abstract: Five novel biscoumarins 1-5 were synthesized and characterized. In these compounds, two classical asymmetrical intramolecular O-H···O hydrogen bonds were used to stabilize the whole structures and the HB energies were performed with the density functional theory (DFT) [B3LYP/6-31G*] method. The five compounds were evaluated for their in vitro antibacterial activities against Staphylococcus aureus (S. aureus ATCC 29213), methicillin-resistant S. aureus (MRSA XJ 75302), vancomycin-intermediate S. aureus (Mu50 ATCC 700699), and USA 300 (Los Angeles County clone, LAC) by the means of minimum inhibitory concentration and time-kill curves.
authors.affiliation: Department of Pharmacology, School of Pharmacy, the Fourth Military Medical University, Xi'an 710032, China. qudi3157@126.com.
authors.forename: Di
authors.initials: D
authors.lastname: Qu
authors.affiliation: School of Chemistry and Chemical Engineering, Xi'an University, Xi'an 710065, China. lijing_518@126.com.
authors.forename: Jing
authors.initials: J
authors.lastname: Li
authors.affiliation: School of Chemistry and Chemical Engineering, Xi'an University, Xi'an 710065, China. yangxh1127@aliyun.com.
authors.forename: Xiao-Hui
authors.initials: XH
authors.lastname: Yang
authors.affiliation: Department of Physics, School of Science, Tianjin University, Tianjin 300072, China. zhangzidan@tju.edu.cn.
authors.forename: Zi-Dan
authors.initials: ZD
authors.lastname: Zhang
authors.affiliation: Department of Pharmacology, School of Pharmacy, the Fourth Military Medical University, Xi'an 710032, China. xxluo3@fmmu.edu.cn.
authors.forename: Xiao-Xing
authors.initials: XX
authors.lastname: Luo
authors.affiliation: Department of Pharmacology, School of Pharmacy, the Fourth Military Medical University, Xi'an 710032, China. mingkai@fmmu.edu.cn.
authors.forename: Ming-Kai
authors.initials: MK
authors.lastname: Li
authors.affiliation: Department of Neurosurgery, Xijing Hospital, the Fourth Military Medical University, Xi'an 710032, China. sjwklixia@sina.com.
authors.forename: Xia
authors.initials: X
authors.lastname: Li
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D003374:Coumarins / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D011789:Quantum Theory; D013211:Staphylococcus aureus / Q000187:drug effects* / Q000254:growth & development; D013816:Thermodynamics
chemical_list: D000900:Anti-Bacterial Agents; D003374:Coumarins