title: Antibacterial and Antitumor Activities of Biscoumarin and Dihydropyran Derivatives.
abstract: A novel series of biscoumarin (1-4) and dihydropyran (5-13) derivatives were synthesized via a one-pot multicomponent condensation reaction and evaluated for antibacterial and antitumor activity in vitro. The X-ray crystal structure analysis of four representative compounds, 3, 7, 9 and 11, confirmed the structures of these compounds. Compounds 1-4 showed the most potent antitumor activity among the total 13 derivatives; especially for compounds 1 and 2, they also emerged as promising antibacterial members with better antibacterial activity. In addition, the results of density functional theory (DFT) showed that compared with compounds 3 and 4, biscoumarins 1 and 2 had lower intramolecular hydrogen bonds (HB) energy in their structures.
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. suiyp8888@sina.com.|Beijing Chao-Yang Hospital, Capital Medical University, Beijing 100020, China. suiyp8888@sina.com.
authors.forename: Yun-Peng
authors.initials: YP
authors.lastname: Sui
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. hairuhuo@gmail.com.
authors.forename: Hai-Ru
authors.initials: HR
authors.lastname: Huo
authors.affiliation: Department of Blood Transfusion, Xijing Hospital, the Fourth Military Medical University, Xi'an 710032, China. xinjiajia@hotmail.com.
authors.forename: Jia-Jia
authors.initials: JJ
authors.lastname: Xin
authors.affiliation: The Key Laboratory for Surface Engineering and Remanufacturing in Shaanxi Province, School of Chemical Engineering, Xi'an University, Xi'an 710065, China. lijing3157@aliyun.com.
authors.forename: Jing
authors.initials: J
authors.lastname: Li
authors.affiliation: The Key Laboratory for Surface Engineering and Remanufacturing in Shaanxi Province, School of Chemical Engineering, Xi'an University, Xi'an 710065, China. xjli@xawl.edu.cn.
authors.forename: Xiao-Jun
authors.initials: XJ
authors.lastname: Li
authors.affiliation: Graduate School of China Academy of Chinese Medical Sciences, Beijing 100700, China. dxl906@163.com.
authors.forename: Xin-Liang
authors.initials: XL
authors.lastname: Du
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. hma@icmm.ac.cn.
authors.forename: Hai
authors.initials: H
authors.lastname: Ma
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. zhouhaiyu1992@foxmail.com.
authors.forename: Hai-Yu
authors.initials: HY
authors.lastname: Zhou
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. baiyihongdan@163.com.
authors.forename: Hong-Dan
authors.initials: HD
authors.lastname: Zhan
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. zjwang@icmm.ac.cn.
authors.forename: Zhu-Ju
authors.initials: ZJ
authors.lastname: Wang
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. cli@icmm.ac.cn.
authors.forename: Chun
authors.initials: C
authors.lastname: Li
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China. fsui@icmm.ac.cn.
authors.forename: Feng
authors.initials: F
authors.lastname: Sui
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
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D045744:Cell Line, Tumor / Q000187:drug effects; D003374:Coumarins / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D018360:Crystallography, X-Ray; D006801:Humans; D006860:Hydrogen Bonding; D008826:Microbial Sensitivity Tests; D015394:Molecular Structure; D011714:Pyrans / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D013211:Staphylococcus aureus / Q000187:drug effects
chemical_list: D000900:Anti-Bacterial Agents; D000970:Antineoplastic Agents; D003374:Coumarins; D011714:Pyrans
keywords: antibacterial; antitumor; biscoumarin; dihydropyran