title: Synthesis of biscoumarin and dihydropyran derivatives as two novel classes of potential anti-bacterial derivatives.
abstract: A series of bisoumarin (1-4) and dihydropyran (5-8) derivatives were successfully synthesized as new antibacterial agents. The molecular structures of three representative compounds 1, 5 and 7 were confirmed by single crystal X-ray diffraction study. Among these compounds tested toward 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), compounds 1 and 2 displayed the most potent antibacterial activity. Additionally, the HB energy in biscoumarins 1-4 was calculated by density functional theory (DFT) [B3LYP/6-31G*] method.
authors.affiliation: College of Chemistry and Chemical Engineering, The Key Laboratory for Surface Engineering and Remanufacturing in Shaanxi Province, Xi'an University, Xi'an, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Li
authors.affiliation: Department of Pharmacology, School of Pharmacy, The Fourth Military Medical University, Xi'an, China.
authors.forename: Xiao-Yan
authors.initials: XY
authors.lastname: Xue
authors.affiliation: Department of Neurosurgery, Xijing Hospital, The Fourth Military Medical University, Xi'an, China.
authors.forename: Xia
authors.initials: X
authors.lastname: Li
authors.affiliation: Department of Pharmacology, School of Pharmacy, The Fourth Military Medical University, Xi'an, China.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Hou
authors.affiliation: College of Chemistry and Chemical Engineering, The Key Laboratory for Surface Engineering and Remanufacturing in Shaanxi Province, Xi'an University, Xi'an, China.
authors.forename: Xiao-Hui
authors.initials: XH
authors.lastname: Yang
authors.affiliation: Department of Pharmacology, School of Pharmacy, The Fourth Military Medical University, Xi'an, China.
authors.forename: Di
authors.initials: D
authors.lastname: Qu
authors.affiliation: Department of Pharmacology, School of Pharmacy, The Fourth Military Medical University, Xi'an, China.
authors.forename: Ying
authors.initials: Y
authors.lastname: Zhou
authors.affiliation: Department of Physics, School of Science, Tianjin University, Tianjin, China.
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, China.
authors.forename: Xiao-Xing
authors.initials: XX
authors.lastname: Luo
authors.affiliation: College of Chemistry and Chemical Engineering, The Key Laboratory for Surface Engineering and Remanufacturing in Shaanxi Province, Xi'an University, Xi'an, China. lijiangtao-968@xawl.edu.cn.
authors.forename: Jiang-Tao
authors.initials: JT
authors.lastname: Li
authors.affiliation: Department of Pharmacology, School of Pharmacy, The Fourth Military Medical University, Xi'an, China.
authors.forename: Ming-Kai
authors.initials: MK
authors.lastname: Li
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000145:classification* / Q000494:pharmacology; D003374:Coumarins / Q000138:chemical synthesis* / Q000145:classification* / Q000494:pharmacology; D018360:Crystallography, X-Ray / Q000379:methods; D006801:Humans; D055624:Methicillin-Resistant Staphylococcus aureus / Q000187:drug effects / Q000502:physiology; D008826:Microbial Sensitivity Tests / Q000379:methods
chemical_list: D000900:Anti-Bacterial Agents; D003374:Coumarins
keywords: Antibacterial; Bisoumarin; DFT; Dihydropyran