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A new glyoxylate-containing benzene derivative, methyl 2-(4-hydroxy-3-(3′-methyl-2′-butenyl)phenyl)-2-oxoacetate (1), together with ten known compounds (2–11), were isolated from the marine algicolous fungus, Aspergillus sp. SCSIO 41304. Their planar structures and absolute configurations were elucidated by detailed NMR, MS spectroscopic analysis and comparing with literature data. Compound 1 was isolated as a new fungal secondary metabolite, possessing a methyl glyoxylate moiety R-CO-CO-OCH3, which is rare in natural sources. All the isolated compounds (1–11) were tested for their antibacterial and enzyme inhibitory activities against acetylcholinesterase (AChE) and pancreatic lipase (PL). Among these compounds, aspulvinone H (4) showed moderate inhibition against AChE and PL with IC50 values of 25.95 and 47.06 μM, respectively. Further molecular docking simulation exhibited that compound 4 could well bind to the catalytic pockets of the AChE and PL. [ABSTRACT FROM AUTHOR]

Twelve indole alkaloids, including α-cyclopiazonic acid (CPA) (1), nine 2-oxo indole CPA derivatives (2–10), and two open-ring indole CPA derivatives (11 and 12), were isolated from the fermentation broth of a deep-sea derived fungus Aspergillus sp. SCSIO 41024. Their structures and absolute configurations were elucidated mainly by using extensive NMR spectroscopic, mass spectrometric and single crystal X-ray diffraction analysis. To the best of our knowledge, the crystallographic data of 3 and 7 were firstly reported, and the absolute configuration of 3 was confirmed for the first time by the single crystal X-ray diffraction analysis. Most isolated compounds were tested for their antimicrobial, antitumor and radical scavenging activities. In addition, compounds 1, 2 and 11 showed moderate antioxidative activity against DPPH with IC50 values of 190.1, 31.9, 228.4 μg/mL, respectively. [ABSTRACT FROM AUTHOR]

One new sesquiterpenoid, 1-methoxypestabacillin B (1), along with one known sesquiterpenoid (2) and six known chrodrimanin-type meroterpenoids (3‒8) were obtained from the solid cultures of a mangrove endophytic fungus Diaporthe sp. SCSIO 41011. Their structures including the absolute configuration at C-6 of compound 1, were determined by extensive spectroscopic analyses and ECD calculations. Meanwhile, the X-ray crystal structures and absolute configurations of two previously reported chrodrimanins E (3) and H (6), are described for the first time. All the compounds were examined for HIV latency-reversal and anti-influenza A virus activities. [ABSTRACT FROM AUTHOR]

Two new compounds, 5-[2-hydroxypropane-1-yl]-2,6-dimethlbenzene-1,3-diol (1) and coniochaetone L (2), together with 19 known compounds (3–21), were isolated from a deep-sea fungus, Penicillium sp. SCSIO 06720. Their structures and absolute configurations were elucidated by detailed NMR, MS spectroscopic analyses, chiral-phase HPLC analysis, and electronic circular dichroism spectra. All the isolated compounds (1–21) were tested for their antibacterial and HIV latency-reversal activities. Among these compounds, compound 16 showed moderate antibacterial activities against Staphylococcus aureus ATCC 29213 and Methicillin-Resistant Staphylococcus Aureus-shh-1 with MIC values of 10.4 ± 3.7 μg/mL and 46.9 ± 29.7 μg/mL, respectively, which were comparable to that of the positive control ampicillin with MIC values of 0.5 ± 0.4 μg/mL and 2.7 ± 0.9 μg/mL, respectively. [ABSTRACT FROM AUTHOR]

SCS-KFD08.[10] The main difference was that a hydroxyl group in penicitor A replaced by a methoxyl group ( I i SB H/C sb 3.87/56.0) attached at C-7 ( I i SB C sb 161.5) in B 1 b ,[11] which were confirmed by HMBC correlation (Figure) of H SB 3 sb -14/C-7, and the presence of an additional CH SB 2 sb unit in deduced molecular formula of B 1 b . Crystallographic data of compound B 1 b were measured on a Rigaku XtaLAB PRO single-crystal diffractometer using Cu K I i radiation ( I i = 1.54184 Å). The ECD spectra of different conformers were generated using the program SpecDis 1.6 (University of Würzburg) and Prism 5.0 (GraphPad Software Inc.) with a half-bandwidth of 0.3 eV, according to the Boltzmann-calculated contribution of each conformer after UV correction of +10 nm. Cytotoxicity against MDA-MB-231, C4-2B, MGC803, 143B, and A549 cell lines of compounds 1-10.Figure S3. 1H NMR spectrum of 7-O-methylpenicitor A (1) (DMSO-d6, 700 MHz)Figure S4. 13C NMR and DEPT spectra of 7-O-methylpenicitor A (1) (DMSO-d6, 700 MHz)Figure S5. [Extracted from the article]

Background: Non-alcoholic fatty liver disease (NAFLD) is one of the most common liver diseases in China. It is usually asymptomatic and transabdominal ultrasound (USS) is the usual means for diagnosis, but it may not be feasible to have USS screening of the whole population.Objective: To develop a risk scoring model for predicting the presence of NAFLD using parameters that can be easily obtain in clinical settings.Methods: A retrospective study on the data of 672 adults who had general health check including a transabdominal ultrasound. Fractional polynomial and multivariable logistic regressions of sociodemographic and biochemical variables on NAFLD were used to identify the predictors. A risk score was assigned to each predictor using the scaled standardized β-coefficient to create a risk prediction algorithm. The accuracy for NAFLD detection by each cut-off score in the risk algorithm was evaluated.Results: The prevalence of NAFLD in our study population was 33.0% (222/672). Six significant factors were selected in the final prediction model. The areas under the curve (AUC) was 0.82 (95% CI: 0.78-0.85). The optimal cut-off score, based on the ROC was 35, with a sensitivity of 76.58% (95% CI: 70.44-81.98%) and specificity of 74.89% (95% CI: 70.62-78.83%).Conclusion: A NAFLD risk scoring model can be used to identify asymptomatic Chinese people who are at risk of NAFLD for further USS investigation. [ABSTRACT FROM AUTHOR]

Two new polyketides, aspergchromones A (1) and B (2), together with five known compounds, secalonic acid D (3), noreugenin (4), (3S)-5-hydroxymellein (5), (4S)-6-hydroxyisosclerone (6), and (-)-regiolone (7), were isolated from the ethyl acetate extract of marine sponge-derived fungusAspergillussp. SCSIO XWS03F03. Their structures were elucidated by means of spectroscopic techniques (1D and 2D NMR, MS, UV, and IR). The absolute configurations of the new compounds were established by ECD calculations. Compound3showed moderate antimicrobial activity. [ABSTRACT FROM PUBLISHER]

Fifteen compounds, including six quinone/hydroquinone meroterpenoids, purpurogemutantin (1), macrophorin A (2), 4′-oxomacrophorin (3), 7-deacetoxyyanuthone A (4), 2,3-hydro-deacetoxyyanuthone A (5), 22-deacetylyanuthone A (6), anicequol (7), three roquefortine derivatives, roquefortine C (8), (16S)-hydroxyroquefortine C (9), (16R)-hydroxyroquefortine C (10), dihydroresorcylide (11), nectriapyrone (12), together with three fatty acid derivatives, methyl linoleate (13), phospholipase A2 (14), methyl elaidate (15), were isolated from the sponge-derived fungus Gliomastix sp. ZSDS1-F7 isolated from the sponge Phakellia fusca Thiele collected in the Yongxing island of Xisha. Their structures were elucidated mainly by extensive NMR spectroscopic and mass spectrometric analyses. Among these compounds, compounds 1–3 and 5–7 showed significant in vitro cytotoxicities against the K562, MCF-7, Hela, DU145, U937, H1975, SGC-7901, A549, MOLT-4 and HL60 cell lines, with IC50 values ranging from 0.19 to 35.4 μM. And compounds 2–4 exhibited antitubercular activity with IC50 values of 22.1, 2.44 and 17.5 μM, respectively. Furthermore, compound 7 had anti-enterovirus 71 activity with MIC value of 17.8 μM. To the best of our knowledge, this is the first report to product two quinone/hydroquinone meroterpenoids skeletons (linear skeleton and drimane skeleton) from the same fungal strain. [ABSTRACT FROM AUTHOR]

Two new phenyl derivatives (1 and 3), along with two new natural products (4 and 5), and three known compounds (2, 6 and 7), were isolated from an endophytic fungus Botryosphaeria sp. SCSIO KcF6. The structures of these compounds 1–7 were elucidated by the extensive 1D and 2D-NMR and HRESIMS Data analysis, and compared with those of reported data. The absolute configuration of the compounds 1 and 3 were assigned by optical rotation and CD data. The isolated compounds were evaluated for their cytotoxic, anti-inflammatory (COX-2) and antimicrobial activities. Compound 3 exhibited a specific COX-2 inhibitory activity with the IC50 value of 1.12 μM. [ABSTRACT FROM AUTHOR]

A new citromycetin analogue, ascomycotin A (1), together with eight known compounds, wortmannilactone E (2), orcinol (3), orsellinic acid (4), isosclerone (5), (3R,4S)-( - )-4-hydroxymellein (6), diorcinol (7), chaetocyclinone B (8) and 2,5-dimethoxy-3,6-di(p-methoxypheny1)-1,4-benzoquinone (9), was isolated from the fungal strain Ascomycota sp. Ind19F07, which was isolated from the deep sea sediment of the Indian Ocean. The structures of the compounds were established by spectroscopic data including 1D and 2D NMR and HR-ESI-MS. Compounds (1-9) were evaluated for antibacterial activity.

Objective: To investigate the chemical constituents in the seaweed Sargassum naozhouense collected from the sea around Zhanjiang., Methods: The compounds were isolated and purified by various chromatographic techniques including silica gel chromatography, Sephadex LH-20 gel chromatography as well as preparative thin layer chromatography, and their structures were identified by spectral analysis., Results: Ten compounds were isolated and identified as 1-O-hexadecanoyl glycerol (1), pheophytin a(2), β-sitosterol (3), mannitol (4), uracil (5), thymine(6),p-hydroxybenzoic acid(7) 3,4-dihydroxybenzoic acid (8) 4-hydroxyphthalide (9), and 2'-de-cxythymidine( 10)., Conclusion: All the compounds are isolated from the seaweed Sargassum naozhouense for the first time.

Axinelline A, a new cyclooxygenase-2 (COX-2) inhibitor, was isolated from Streptomyces axinellae SCSIO02208. The structures of compounds 1-9 were determined by analysing the NMR and MS data. The absolute configuration of 1 was determined by using optical rotation and comparing with the reported data. Compound 1 exhibited COX-2 inhibitory activity, the IC50 value being 2.8 μM.