FT-Raman and FTIR-ATR spectroscopies and DFT calculations of triterpene acetyl aleuritolic acid

Melo, I.R.S.; Teixeira, Alexandre Magno Rodrigues; Sena, Diniz M.; Santos, Hélcio Silva dos; Albuquerque, Maria Rose Jane R.; Bandeira, Paulo Nogueira; Rodrigues, A. S.; Braz-Filho, Raimundo; Gusmão, G.O.M.; Silva, J.H.; Faria, J.L.B.; Bento, Ricardo Ferreira

doi:10.1016/j.molstruc.2013.11.023

Cited by 13 publications

(4 citation statements)

References 28 publications

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“…In the case of M. azedarach , the triterpenoids had a greater number of representatives than the flavonoid classes in the fraction that had the best antiviral activity against SRLV. These phytoconstituents, such as quercetin, are the targets of investigation in the search for bioactive components with the most distinct pharmacological properties 105 . There are reports of antiviral activity attributed to triterpenoids present in vegetables against the dengue virus 50 , 106 , enterovirus 71 107 , coronavirus 108 , HIV, H 1 N 1 , H 5 N 1 and HSV 109 .…”

Section: Discussionmentioning

confidence: 99%

In vitro antiviral effect of ethanolic extracts from Azadirachta indica and Melia azedarach against goat lentivirus in colostrum and milk

Sousa

Pinheiro

Araújo³

et al. 2023

Sci Rep

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This study aimed to evaluate, in vitro, the use of leaf extracts of Azadirachta indica (A. indica) and Melia azedarach (M. azedarach) as antivirals against caprine lentivirus (CLV) in colostrum and milk of goat nannies. These were collected from eight individuals and infected with the standard strain of CLV. Samples were then subdivided into aliquots and treated with 150 µg/mL of crude extract, and with ethyl acetate and methanol fractions for 30, 60, and 90 min. Next, somatic cells from colostrum and milk were co-cultured with cells from the ovine third eyelid. After this step, viral titers of the supernatants collected from treatments with greater efficacy in co-culture were assessed. The organic ethyl acetate fractions of both plants at 90 min possibly inhibited the viral activity of CLV by up to a thousandfold in colostrum. In milk, this inhibition was up to 800 times for the respective Meliaceae. In conclusion, the ethanolic fraction of ethyl acetate from both plants demonstrated efficacy against CLV in samples from colostrum and milk when subjected to treatment, which was more effective in colostrum.

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Section: Discussionmentioning

confidence: 99%

In vitro antiviral effect of ethanolic extracts from Azadirachta indica and Melia azedarach against goat lentivirus in colostrum and milk

Sousa

Pinheiro

Araújo³

et al. 2023

Sci Rep

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“…These vibrations are sensitive to the specificity of individual triterpenoids. In the C-H stretch region (Figure 6b), the bands of CH 2 groups at 2922 and 2853 cm −1 prevailed for the stipe surface and were much less pronounced for the abhymenial surface of the pileus, having little more pronounced bands of CH 3 groups at 2955 and 2877 cm −1 [81].…”

Section: Triterpenoid Distribution In Ganoderma Basidiocarpsmentioning

confidence: 99%

“…The C-H bending region (1300-1500 cm −1 ). This region has two strong-to-medium bands at 1456-1462 and 1373-1380 cm −1 and several smaller bands or shoulders attributed mainly to CH 3 bending and CH 2 scissoring vibrations [65,81,85,88,89]. The splitting of methyl vibrations into several bands is due to the different positions of these groups in the molecule.…”

Section: Differences In Triterpenoid Composition For the Ganoderma St...mentioning

confidence: 99%

Mid-Infrared Spectroscopic Study of Cultivating Medicinal Fungi Ganoderma: Composition, Development, and Strain Variability of Basidiocarps

Synytsya,

Bleha,

Skrynnikova

et al. 2023

JoF

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Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy was proposed for rapid, versatile, and non-invasive screening of Ganoderma basidiocarps to assess their potential for specific applications. Fifteen species and strains of this fungus were selected for analysis, and fine sections at different parts of young and mature basidiocarps were obtained. The spectra of fungal samples showed significant differences interpreted in terms of biochemical composition using characteristic bands of proteins, polysaccharides, lipids, and triterpenoids. Obviously, for the transverse sections in trama, especially in the basal part, the most intense bands at 950–1200 cm−1 corresponded to polysaccharide vibrations, while for the superficial sections, the bands of carbonyl and aliphatic groups of triterpenoids at 1310–1470, 1550–1740, and 2850–2980 cm−1 predominated. The pilei, especially hymenium tubes, apparently contained more proteins than the bases and stipes, as evidenced by the intense bands of amide vibrations at 1648 and 1545–1550 cm−1. The specificity of the Ganoderma basidiocarp is a densely pigmented surface layer rich in triterpenoids, as proved by ATR-FTIR spectroscopy. The spectral differences corresponding to the specificity of the triterpenoid composition may indicate the prospects of individual strains and species of this genus for cultivation and further use in food, cosmetics, or medicine.

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“…The Nuclear magnetic resonance (NMR) of this compound has also been reported [4,5]. Vibrational spectroscopy and nuclear magnetic resonance (NMR) studies of active substances extracted from medicinal plants are essential to provide detailed information on their structural and vibrational properties [6][7][8][9]. However, to our knowledge, studies on this compound using Hartree Fock and DFT methods have not yet been reported in literature.…”

Section: Introductionmentioning

confidence: 99%

Predictive calculation of structural, nonlinear optical, electronic and thermodynamic properties of andirobin molecule from ab initio and DFT methods

Abe

Nzia

Sidjui³

et al. 2021

SN Appl. Sci.

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The structural, nonlinear optical, electronic and thermodynamic properties of andirobin molecule were carried out by density functional theory at the B3LYP, WB97XD level and at the Restricted Hartree–Fock level by employing 6–311G(d,p) basis set. The obtained values of bond lengths, bond angles, 1H NMR and 13C NMR are in good agreement with experimental values. The dipole moment and first static hyperpolarizability show that andirobin can be applied in nonlinear optical devices. HOMO–LUMO energy gap values were found to be greater than 4 eV and lead us to the conclusion that this molecule can be used as insulator in many electronic devices. The thermal energy (E), molar heat capacity at constant volume $$(C_{v}$$ ( C v ) and entropy (S) were also calculated.

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FT-Raman and FTIR-ATR spectroscopies and DFT calculations of triterpene acetyl aleuritolic acid

Cited by 13 publications

References 28 publications

In vitro antiviral effect of ethanolic extracts from Azadirachta indica and Melia azedarach against goat lentivirus in colostrum and milk

In vitro antiviral effect of ethanolic extracts from Azadirachta indica and Melia azedarach against goat lentivirus in colostrum and milk

Mid-Infrared Spectroscopic Study of Cultivating Medicinal Fungi Ganoderma: Composition, Development, and Strain Variability of Basidiocarps

Predictive calculation of structural, nonlinear optical, electronic and thermodynamic properties of andirobin molecule from ab initio and DFT methods

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