“…3 ) were identified as 4-hydroxybenzaldehyde ( 1 ) 29 , 4-hydroxybenzoic acid ( 2 ) 2 , 31 , tyrosol ( 3 ) 30 , 32 , azelaic acid ( 4 ) 2 , 33 , malic acid ( 5 ) 2 , 34 , and fusaric acid ( 6 ) 35 . Benzoic acid and malic acid ( 5 ) were previously isolated from the host plant E. tirucalli 36 , 37 , while benzoic acid derivative; 4-hydroxybenzoic acid ( 2 ) and malic acid ( 5 ) were formerly isolated from the endophytic fungus F. solani 2 which indicates that the endophytic microbe would be able to produce the same or comparable substances to those produced by the host plant. Figure 3 Structures of the isolated metabolites ( 1 – 6 ) from the endophytic fungus Fusarium solani .…”
Metabolites exploration of the ethyl acetate extract of Fusarium solani culture broth that was isolated from Euphorbia tirucalli root afforded five compounds; 4-hydroxybenzaldehyde (1), 4-hydroxybenzoic acid (2), tyrosol (3), azelaic acid (4), malic acid (5), and fusaric acid (6). Fungal extract as well as its metabolites were evaluated for their anti-inflammatory and anti-hyperpigmentation potential via in vitro cyclooxygenases and tyrosinase inhibition assays, respectively. Azelaic acid (4) exhibited powerful and selective COX-2 inhibition followed by fusaric acid (6) with IC50 values (2.21 ± 0.06 and 4.81 ± 0.14 μM, respectively). As well, azelaic acid (4) had the most impressive tyrosinase inhibitory effect with IC50 value of 8.75 ± 0.18 μM compared to kojic acid (IC50 = 9.27 ± 0.19 μM). Exclusive computational studies of azelaic acid and fusaric acid with COX-2 were in good accord with the in vitro results. Interestingly, this is the first time to investigate and report the potential of compounds 3–6 to inhibit cyclooxygenase enzymes. One of the most invasive forms of skin cancer is melanoma, a molecular docking study using a set of enzymes related to melanoma suggested pirin to be therapeutic target for azelaic acid and fusaric acid as a plausible mechanism for their anti-melanoma activity.
“…3 ) were identified as 4-hydroxybenzaldehyde ( 1 ) 29 , 4-hydroxybenzoic acid ( 2 ) 2 , 31 , tyrosol ( 3 ) 30 , 32 , azelaic acid ( 4 ) 2 , 33 , malic acid ( 5 ) 2 , 34 , and fusaric acid ( 6 ) 35 . Benzoic acid and malic acid ( 5 ) were previously isolated from the host plant E. tirucalli 36 , 37 , while benzoic acid derivative; 4-hydroxybenzoic acid ( 2 ) and malic acid ( 5 ) were formerly isolated from the endophytic fungus F. solani 2 which indicates that the endophytic microbe would be able to produce the same or comparable substances to those produced by the host plant. Figure 3 Structures of the isolated metabolites ( 1 – 6 ) from the endophytic fungus Fusarium solani .…”
Metabolites exploration of the ethyl acetate extract of Fusarium solani culture broth that was isolated from Euphorbia tirucalli root afforded five compounds; 4-hydroxybenzaldehyde (1), 4-hydroxybenzoic acid (2), tyrosol (3), azelaic acid (4), malic acid (5), and fusaric acid (6). Fungal extract as well as its metabolites were evaluated for their anti-inflammatory and anti-hyperpigmentation potential via in vitro cyclooxygenases and tyrosinase inhibition assays, respectively. Azelaic acid (4) exhibited powerful and selective COX-2 inhibition followed by fusaric acid (6) with IC50 values (2.21 ± 0.06 and 4.81 ± 0.14 μM, respectively). As well, azelaic acid (4) had the most impressive tyrosinase inhibitory effect with IC50 value of 8.75 ± 0.18 μM compared to kojic acid (IC50 = 9.27 ± 0.19 μM). Exclusive computational studies of azelaic acid and fusaric acid with COX-2 were in good accord with the in vitro results. Interestingly, this is the first time to investigate and report the potential of compounds 3–6 to inhibit cyclooxygenase enzymes. One of the most invasive forms of skin cancer is melanoma, a molecular docking study using a set of enzymes related to melanoma suggested pirin to be therapeutic target for azelaic acid and fusaric acid as a plausible mechanism for their anti-melanoma activity.
“…To compare the obtained resolving powers with those found in literature, resolving powers previously reported on broadband analyses of complex mixtures such as metabolome, humic substances, or crude oils are summarized and tabulated in Table . ,− The data series were sorted by strength of magnetic field and the year they were reported. The length of time domain transient and the number of data points are also listed in the table; however, available literature on these data was limited.…”
Resolving power is a critical factor determining the quality of ultrahigh-resolving power mass spectra of crude oil. In this study, 7T Fourier-transform ion cyclotron mass spectrometry (FT-ICR MS), equipped with quadrupole detection, was applied and evaluated for crude oil analysis for the first time. Four spectra were obtained from two oil samples using two ionization methods. Resolving power of 1500000 was observed at m/z 400 with 4 s transient signal. Comparison with literature reports revealed that the achieved resolving power was comparable with or superior to those obtained from instruments using higher magnetic fields but without quadrupole detection. A total of 6000-10000 peaks with an S/N ratio of 3 or higher were observed from the obtained spectra and over 97% of the peaks could be assigned to appropriate chemical formulas with an error within 1 ppm. Double bond equivalents vs carbon number plots generated from the obtained data agreed well with those previously reported without quadrupole detection. Mass accuracy values of the assigned elemental formulas were examined and the average root-mean-square error was calculated to be only 160 ppb. Low unassignment rate of the observed peaks and strong agreement with previously reported results suggests that unwanted harmonics of reduced frequency are not significant for the data obtained with quadrupole detection. Overall, the data presented in this study show that FT-ICR MS equipped with quadrupole detection can be a powerful tool to examine complex mixtures like crude oil. To the best of our knowledge, this is the first paper reporting application of FT-ICR MS equipped with quadrupole detection for the oil analysis.
“…Chemically latex comprises mostly terpenes and sterols, including euphol, α-euphorbol, cycloeuphordenol, euphorginol, tigliane (phorbol esters), ingenane (ingenol esters), lupeol, α -amyrin, lanosterol, cycloartenol, taraxasterol, tirucallol, cyclotirucanenol and tirucalicine [17,18]. The species is also reported to possess hentriacontane, ß-sitosterol, succinic acid, citric acid, ellagic acid, 3,3'-di-Omethylellagic acid, gallic acid, catechin, myricetin, tellimagrandin II, geraniin, euphorbin A, tirucallin A and B, prostratin A, euphorbin F, pedunculagin, putranjivain A and B, corilagin, casuariin, 5-desgalloylstarchyurin and 3,3,4-tri-O-methyl-4-O-rutinosyl ellagic acid [19][20][21][22][23][24][25].…”
Background: Head and neck squamous cell carcinoma (HNSCC) is one of the most common malignancies in humans and the average 5-year survival rate is one of the lowest among aggressive cancers. Protein kinase C zeta (PKCZ) is highly expressed in head and neck tumors, and the inhibition of PKCZ reduces MAPK activation in five of seven head and neck tumors cell lines. Considering the worldwide HNSCC problems, there is an urgent need to develop new drugs to treat this disease, that present low toxicity, effective results and that are relatively inexpensive. Method: A unified approach involving homology modeling, docking and molecular dynamics simulations studies on PKCZ are presented. The in silico study on this enzyme was undertaken using 10 compounds from latex of Euphorbia tirucalli L. (aveloz). Results: The binding free energies highlight that the main contribution in energetic terms for the compounds-PKCZ interactions is based on van der Waals. The per-residue decomposition free energy from the PKCZ revealed that the compounds binding were favorably stabilized by residues Glu300, Ileu383 and Asp394. Based on the docking, Xscore and molecular dynamics results, euphol, ß-sitosterol and taraxasterol were confirmed as the promising lead compounds. Conclusion: The present study should therefore play a guiding role in the experimental design and development of euphol, ß-sitosterol and taraxasterol as anticancer agents in head and neck tumors. They are potential lead compounds, better than other ligands based on the best values of docking and MM-PBSA energy.
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