scholarly journals Shellmycin A–D, Novel Bioactive Tetrahydroanthra-γ-Pyrone Antibiotics from Marine Streptomyces sp. Shell-016

Marine Drugs ◽  
2020 ◽  
Vol 18 (1) ◽  
pp. 58 ◽  
Author(s):  
Yong Han ◽  
Yan Wang ◽  
Yuehan Yang ◽  
Haotong Chen
Keyword(s):  
Absolute Configuration ◽  
Nature Reserve ◽  
2D Nmr ◽  
Biosynthetic Pathways ◽  
X Ray Diffraction ◽  
Streptomyces Sp ◽  
X Ray ◽  
Structure Activity ◽  
Ic50 Value ◽  
Marine Streptomyces

Four novel bioactive tetrahydroanthra-γ-pyrone compounds, shellmycin A–D (1–4), were isolated from the marine Streptomyces sp. shell-016 derived from a shell sediment sample collected from Binzhou Shell Dike Island and Wetland National Nature Reserve, China. The structures of these four compounds were established by interpretation of 1D and 2D NMR and HR-MS data, in which the absolute configuration of 1 was confirmed by single crystal X-ray diffraction, and compound 3 and 4 are a pair of stereoisomers. Compound 1–4 exhibited cytotoxic activity against five cancer cell lines with the IC50 value from 0.69 μM to 26.3 μM. Based on their structure–activity relationship, the putative biosynthetic pathways of these four compounds were also discussed.

scholarly journals Absolute Configuration of Cembrane Diterpenoids from Bursera multijuga

2014 ◽  
Vol 9 (9) ◽  
pp. 1934578X1400900 ◽  
Author(s):  
Juan D. Hernández-Hernández ◽  
Hugo A. García-Gutiérrez ◽  
Luisa U. Román-Marín ◽  
Yunuen I. Torres-Blanco ◽  
Carlos M. Cerda-García-Rojas ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Absolute Configuration ◽  
2D Nmr ◽  
Vibrational Circular Dichroism ◽  
Conformational Preference ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Absolute ◽  
First Time ◽  
Good Agreement

The stems of Bursera multijuga afforded (-)-(1 S,3 E,7 R,8 R,11 E)-7,8-epoxycembra-3,11-dien-1-ol (1) and its acetate 2, together with cembrene A (3), nephthenol (4), and cembrenol (5). The structures of 1 and 2 were elucidated by 1D and 2D NMR, HRESIMS, and X-ray diffraction. The conformational preference of flexible 1 was studied by molecular modeling at the DFT B3LYP/DGDZVP level of theory. Good agreement between calculated and experimental vibrational circular dichroism curves established the absolute configuration of 1. This is the first time that cembrane derivatives have been isolated from the genus Bursera.

scholarly journals Thioester-Containing Benzoate Derivatives with α-Glucosidase Inhibitory Activity from the Deep-Sea-Derived Fungus Talaromyces indigoticus FS688

Marine Drugs ◽  
2021 ◽  
Vol 20 (1) ◽  
pp. 33
Author(s):  
Mingqiong Li ◽  
Saini Li ◽  
Jinhua Hu ◽  
Xiaoxia Gao ◽  
Yanlin Wang ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Deep Sea ◽  
Spectroscopic Analysis ◽  
X Ray Diffraction ◽  
Docking Analysis ◽  
X Ray ◽  
Structure Activity ◽  
Ic50 Value ◽  
Ic50 Values ◽  
Benzoate Derivatives

Eurothiocins C–H (1–6), six unusual thioester-containing benzoate derivatives, were isolated from the deep-sea-derived fungus Talaromyces indigoticus FS688 together with a known analogue eurothiocin A (7). Their structures were elucidated through spectroscopic analysis and the absolute configurations were determined by X-ray diffraction and ECD calculations. In addition, compound 1 exhibited significant inhibitory activity against α-glucosidase with an IC50 value of 5.4 μM, while compounds 4 and 5 showed moderate effects with IC50 values of 33.6 and 72.1 μM, respectively. A preliminary structure–activity relationship is discussed and a docking analysis was performed.

scholarly journals Cytotoxic Polyketide Metabolites from a Marine Mesophotic Zone Chalinidae Sponge-Associated Fungus Pleosporales sp. NBUF144

Marine Drugs ◽  
2021 ◽  
Vol 19 (4) ◽  
pp. 186
Author(s):  
Jing Zhou ◽  
Hairong Zhang ◽  
Jing Ye ◽  
Xingxin Wu ◽  
Weiyi Wang ◽  
...  
Keyword(s):  
Mass Spectra ◽  
Spectroscopic Analysis ◽  
2D Nmr ◽  
Leukemia Cells ◽  
Ionization Mass ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lymphatic Leukemia ◽  
Ic50 Value ◽  
Lymphatic Leukemia Cells

Two new polyketide natural products, globosuxanthone F (1), and 2′-hydroxy bisdechlorogeodin (2), were isolated from the fungus Pleosporales sp. NBUF144, which was derived from a 62 m deep Chalinidae family sponge together with four known metabolites, 3,4-dihydroglobosuxanthone A (3), 8-hydroxy-3-methylxanthone-1-carboxylate (4), crosphaeropsone C (5), and 4-megastigmen-3,9-dione (6). The structures of these compounds were elucidated on the basis of extensive spectroscopic analysis, including 1D and 2D NMR and high-resolution electrospray ionization mass spectra (HRESIMS) data. The absolute configuration of 1 was further established by single-crystal X-ray diffraction studies. Compounds 1-5 were evaluated for cytotoxicity towards CCRF-CEM human acute lymphatic leukemia cells, and it was found that 1 had an IC50 value of 0.46 µM.

scholarly journals Cyclic Peptides from the Soft Coral-Derived Fungus Aspergillus sclerotiorum SCSIO 41031

Marine Drugs ◽  
2021 ◽  
Vol 19 (12) ◽  
pp. 701
Author(s):  
Jieyi Long ◽  
Yaqi Chen ◽  
Weihao Chen ◽  
Junfeng Wang ◽  
Xuefeng Zhou ◽  
...  
Keyword(s):  
Cyclic Peptides ◽  
Soft Coral ◽  
2D Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cyclic Hexapeptide ◽  
Ic50 Value ◽  
Ic50 Values ◽  
Cyclic Hexapeptides ◽  
Aspergillus Sclerotiorum

Three novel cyclic hexapeptides, sclerotides C–E (1–3), and a new lipodepsipeptide, scopularide I (4), together with a known cyclic hexapeptide sclerotide A (5), were isolated from fermented rice cultures of a soft coral-derived fungus: Aspergillus sclerotiorum SCSIO 41031. The structures of the new peptides were determined by 1D and 2D NMR spectroscopic analysis, Marfey’s method, ESIMS/MS analysis, and single crystal X-ray diffraction analysis. Scopularide I (4) exhibited acetylcholinesterase inhibitory activity with an IC50 value of 15.6 μM, and weak cytotoxicity against the human nasopharyngeal carcinoma cell line HONE-EBV with IC50 values of 10.1 μM.

scholarly journals Fusarins G–L with Inhibition of NO in RAW264.7 from Marine-Derived Fungus Fusarium solani 7227

Marine Drugs ◽  
2021 ◽  
Vol 19 (6) ◽  
pp. 305
Author(s):  
Guangyuan Luo ◽  
Li Zheng ◽  
Qilin Wu ◽  
Senhua Chen ◽  
Jing Li ◽  
...  
Keyword(s):  
Fusarium Solani ◽  
2D Nmr ◽  
Inflammatory Activity ◽  
Raw264.7 Cells ◽  
Spectroscopic Methods ◽  
X Ray ◽  
X Ray Crystallography ◽  
Structure Activity ◽  
Ic50 Values ◽  
New Compounds

Six new fusarin derivatives, fusarins G–L (1–6), together with five known compounds (5–11) were isolated from the marine-derived fungus Fusarium solani 7227. The structures of the new compounds were elucidated by means of comprehensive spectroscopic methods (1D and 2D NMR, HRESIMS, ECD, and ORC) and X-ray crystallography. Compounds 5–11 exhibited potent anti-inflammatory activity by inhibiting the production of NO in RAW264.7 cells activated by lipopolysaccharide, with IC50 values ranging from 3.6 to 32.2 μM. The structure–activity relationships of the fusarins are discussed herein.

Crystal structures of (S)- and (R,S)-2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxides and of their barium salts: absolute configuration and molecular distortion enforced by supramolecular self-assembly

1997 ◽  
Vol 212 (3) ◽  
Author(s):  
P. Vojtíšek ◽  
I. Císařová ◽  
J. Podlaha ◽  
Z. Žák ◽  
S. Böhm ◽  
...  
Keyword(s):  
Single Crystal ◽  
Dicarboxylic Acid ◽  
Crystal Structures ◽  
Absolute Configuration ◽  
Self Assembly ◽  
Barium Salt ◽  
X Ray Diffraction ◽  
X Ray

AbstractCrystal structures of the title compounds were determined by single crystal X-ray diffraction. Absolute configuration of the barium salt of (+)-(

Alkaloids of Rauvolfia salicifolia GRISEB species

1982 ◽  
Vol 47 (11) ◽  
pp. 2912-2921 ◽  
Author(s):  
Patricia Sierra ◽  
Ladislav Novotný ◽  
Zdeněk Samek ◽  
Miloš Buděšínský ◽  
Ladislav Dolejš ◽  
...  
Keyword(s):  
Absolute Configuration ◽  
Cd Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Absolute

From the endemic Cuban species Rauvolfia salicifolia GRISEB nine alkaloids were isolated of which the following seven had been already described: (+)-ajmalidine (I), (-)-reserpiline (II), (-)-isoreserpiline (III), (-)-isocarapanaubine (IV), (-)-ajmalicine (V), (+)-vellosimine (VI), and (+)-yohimbine (VII). The structure of (-)-raucubaine (VIII) had been previously determined by X-ray diffraction and the structure of the alkaloid (-)-raucubainine (IX) was suggested on the basis of its conversion to (-)-raucubaine (VIII). The absolute configuration of (-)-raucubaine and (-)-raucubainine was elucidated by CD spectroscopy.

scholarly journals Some experimental aspects of absolute configuration determination using single crystal X-ray diffraction

2017 ◽  
Vol 28 (10) ◽  
pp. 1330-1336 ◽  
Author(s):  
Amber L. Thompson ◽  
Sarah F. Jenkinson ◽  
George W.J. Fleet
Keyword(s):  
Single Crystal ◽  
Absolute Configuration ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Secondary Metabolites with Nitric Oxide Inhibition from Marine-Derived Fungus Alternaria sp. 5102

Marine Drugs ◽  
2020 ◽  
Vol 18 (8) ◽  
pp. 426 ◽  
Author(s):  
Senhua Chen ◽  
Yanlian Deng ◽  
Chong Yan ◽  
Zhenger Wu ◽  
Heng Guo ◽  
...  
Keyword(s):  
Secondary Metabolites ◽  
2D Nmr ◽  
X Ray ◽  
X Ray Crystallography ◽  
Spectroscopic Analyses ◽  
Structure Activity ◽  
Ic50 Values ◽  
Alternaria Sp ◽  
Modified Mosher’S Method ◽  
Oxide Inhibition

Two new benzofurans, alternabenzofurans A and B (1 and 2) and two new sesquiterpenoids, alternaterpenoids A and B (3 and 4), along with 18 known polyketides (5−22), were isolated from the marine-derived fungus Alternaria sp. 5102. Their structures were elucidated on the basis of extensive spectroscopic analyses (1D and 2D NMR, HR-ESIMS, and ECD) and X-ray crystallography, as well as the modified Mosher’s method. Compounds 2, 3, 5, 7, 9–18, and 20–22 exhibited potent anti-inflammatory activity by inhibiting the production of NO in RAW264.7 cells activated by lipopolysaccharide with IC50 values in the range from 1.3 to 41.1 μM. Structure-activity relationships of the secondary metabolites were discussed.

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