title: Paenibacillin A, a new 2(1H)-pyrazinone ring-containing natural product from the endophytic bacterium Paenibacillus sp. Xy-2.
abstract: A new 2(1H)-pyrazinone ring-containing natural product, paenibacillin A (1), together with five known diketopiperazine derivatives 2-6 and two known isoflavones 7-8, was isolated from the culture of an endophytic bacterium Paenibacillus sp. Xy-2. The structure of compound 1 was elucidated by extensive spectral methods, including UV, IR, HR-ESI-MS, 1D and 2D NMR and ECD experiments. Compound 1 exhibited moderate cytotoxicity against HL-60 cell line with IC50 value of 50.48 μM.
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Xiqing
authors.initials: X
authors.lastname: Bian
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Meili
authors.initials: M
authors.lastname: Shao
authors.affiliation: c Institute of Applied Ecology, Chinese Academy of Sciences , Shenyang 110016 , P.R. China.
authors.forename: Huaqi
authors.initials: H
authors.lastname: Pan
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Kaibo
authors.initials: K
authors.lastname: Wang
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Shengdong
authors.initials: S
authors.lastname: Huang
authors.affiliation: d School of Life Science and Biopharmaceutics, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Xin
authors.initials: X
authors.lastname: Wu
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Chunmei
authors.initials: C
authors.lastname: Xue
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Huiming
authors.initials: H
authors.lastname: Hua
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Yuehu
authors.initials: Y
authors.lastname: Pei
authors.affiliation: a Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education , Shenyang 110016 , P.R. China.|b School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang 110016 , P.R. China.
authors.forename: Jiao
authors.initials: J
authors.lastname: Bai
mesh_terms: D001688:Biological Products / Q000737:chemistry / Q000302:isolation & purification; D060026:Endophytes / Q000737:chemistry; D018922:HL-60 Cells / Q000187:drug effects; D006801:Humans; D020128:Inhibitory Concentration 50; D007529:Isoflavones / Q000737:chemistry / Q000302:isolation & purification; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D056507:Paenibacillus / Q000737:chemistry*; D011719:Pyrazines / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology*; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D001688:Biological Products; D007529:Isoflavones; D011719:Pyrazines; C000609489:paenibacillin A
keywords: Paenibacillus sp; cytotoxicity; endophytic bacterium; secondary metabolites