This study aims to identify and isolate the secondary metabolites of Zingiber officinale using GC-MS, preparative TLC, and LC-MS/MS methods, to evaluate the inhibitory potency on SARS-CoV-2 3 chymotrypsin-like protease enzyme, as well as to study the molecular interaction and stability by using docking and molecular dynamics simulations. GC-MS analysis suggested for the isolation of terpenoids compounds as major compounds on methanol extract of pseudostems and rhizomes. Isolation and LC-MS/MS analysis identified 5-hydro-7, 8, 2′-trimethoxyflavanone (9), (E)-hexadecyl-ferulate (1), isocyperol (2), N-isobutyl-(2E,4E)-octadecadienamide (3), and nootkatone (4) from the rhizome extract, as well as from the leaves extract with the absence of 9. Three known steroid compounds, i.e., spinasterone (7), spinasterol (8), and 24-methylcholesta-7-en-3β-on (6), were further identified from the pseudostem extract. Molecular docking showed that steroids compounds 7, 8, and 6 have lower predictive binding energies (MMGBSA) than other metabolites with binding energy of −87.91, −78.11, and −68.80 kcal/mole, respectively. Further characterization on the single isolated compound by NMR showed that 6 was identified and possessed 75% inhibitory activity on SARS-CoV-2 3CL protease enzyme that was slightly different with the positive control GC376 (77%). MD simulations showed the complex stability with compound 6 during 100 ns simulation time.
Alpinia eremochlamys K. Schum , Etlingera flexuosa A.D. Poulsen, and Etlingera acanthoides A.D. Poulsen are endemic Zingiberaceae plants from Central Sulawesi, Indonesia. This study is the first report on screening the potential antiviral activity of ethanol extracts of the leaves, pseudostems, and rhizomes parts on HIV-infected MT-4 cells and identifying chemical constituents by GC-MS. The plants were extracted by the maceration method using 96% ethanol as a solvent. The antiviral activity was measured using Viral-ToxGlo colorimetric method and using the extracts at concentrations ranging from 7.8 to 1000 μg/mL. GC-MS was used to identify the secondary metabolites of potential extracts. The results showed that ethanol extract of E. acanthoides rhizome was the most potent antiviral activity (IC 50 of 1.74 ± 2.46 μg/mL) and less toxic on lymphocyte (MT-4) cells (CC 50 of 204.90 ± 106.35 μg/mL), affording the highest value of selectivity index (SI) of 117.76. A. eremochlamys rhizomes also showed promising antiviral activity with IC 50 of 64.18 ± 2.58 μg/mL and no toxicity on MT-4 cells affording a high SI value 19.05. Preliminary GC-MS identification showed the presence of terpenoids and fatty acids as major compounds. Zerumbone, ar-turmerone, caryophyllene, and caryophyllene oxide were also detected. Chemical constituents identified by GC-MS might be responsible for the antiviral activity of extracts, suggesting further isolation and antiviral testing of the purified compounds.
Ikan sidat (Anguilla marmorata (Q.) Gaimard) memiliki keunggulan gizi atau nutrisi yang tinggi seperti vitamin A, vitamin B, vitamin C, vitamin D, vitamin E, protein, mineral, dan asam lemak yang baik bagi kesehatan. Penelitian ini bertujuan untuk menentukan kadar asam lemak, dan membandingkan komposisi asam lemak dari ikan sidat fase yellow eel asal sungai Palu dan danau Poso. Penelitian ini menggunakan metode kromatografi gas dengan mengubah ekstrak lemak menjadi metil ester asam lemak. Hasil analisis komposisi asam lemak daging ikan sidat (Anguilla marmorata (Q.) Gaimard) fase yellow eel asal sungai Palu dan Danau Poso menunjukan kadar asam lemak jenuh masing-masing 2,766g/100g dan 0,275g/100g; asam lemak tak jenuh tunggal 4,029g/100g dan 0,276g/100g; dan asam lemak tak jenuh ganda 0,541g/100g dan 0,102g/100g. Terdapat perbedaan secara statistik (p<0.05) komposisi dan kadar asam lemak antara daging ikan sidat fase yellow eel asal sungai Palu dan danau Poso. Komposisi asam lemak ikan sidat fase yellow eel asal sungai Palu dan danau Poso masing-masing adalah 23 dan 18 jenis. Asam lemak yang ditemukan pada daging ikan sidat sungai Palu dan tidak ditemukan pada ikan sidat danau Poso adalah asam heneikosenoat, asam miristoleat, Cis-10-pentadekanoat, asam gamma linoleat, dan Cis-11,14,17-eikosatrinoat.
A BSTRACT Introduction: Human immunodeficiency virus type-1 (HIV-1) that causes acquired immunodeficiency syndrome (AIDS) has become a worldwide health problem today. There are approximately 30 anti-HIV-1 drugs that have been used in the treatment of AIDS. However, effective anti HIV-1 agents with less side affect and high inhibition potency are still in demand. Objective: The objective of this study was to identify the potential compounds from Zingiberaceae plants that might be active as anti-HIV-1 by molecular docking. Materials and Methods: Molecular docking simulation was performed by using AutoDock 4.2 on Linux operation system. Docking protocol was validated by using root mean square deviation (RMSD) value using redocking and cross-docking methods. The reported metabolites from Zingiberaceae plants were docked on HIV-1 protease, integrase, and reverse transcriptase protein enzymes. Results: The docking result showed that the genera of Zingiber , Etlingera , Alpinia , Hedychium , and Boesenbergia have potential metabolites that inhibit HIV protease, integrase, and reverse transcriptase enzymes by possessing lower docking energy than native ligand of amprenavir, raltegravir, and nevirapine. Among the metabolites, noralpindenoside B and alpindenoside A from Alpinia densespicata inhibited protease enzymes with the lowest docking energy of -18.02 and -17.90 kcal/mol, respectively. Meanwhile, panduratin E from Boesenbergia pandurata Roxb. and 5α,8α-epidioxyergosta-6,22-dien-3β-ol from Etlingera elatior showed the lowest docking energy on integrase protein with docking energy of -11.97 and -11.41 kcal/mol, respectively. Pahangensin A from Alpinia pahangensis Ridley showed the lowest docking energy on reverse transcriptase enzyme with docking energy of -13.76 kcal/mol. Conclusion: The docking molecular study has identified the possible potential compounds from Zingiberaceae plants that might be used for anti-HIV-1 treatment. So, this study suggested further isolation and purification of the predicted compounds.
This study aims to determine the content of secondary metabolites and the levels of total secondary metabolites in ethanol extract of Okra (Abelmoschus esculentus L. Moench) fruit with UV-Vis Spectrophotometry method. Okra (Abelmoschus esculentus L. Moench) fruit extract was prepared by maceration method with 96% ethanol. The extract was concentrated using a rotary evaporator that followed by a qualitative test for alkaloids, flavonoids, saponins, and tannins using suitable reagents with the test parameters, while for the qualitative assay using a UV-Vis Spectrophotometry. Qualitative analysis of alkaloids using test parameters of total alkaloids equivalent to quinine, flavonoid using parameter of total flavonoids equivalent to quercetin, saponin using parameters of standard saponins total from the Quillaja Bark, and tannin using test parameters of total tannins equivalent to tannic acid. Qualitative test results indicated that the ethanol extract of Okra fruit tested positive for alkaloids content wich characterized by the orange deposition, flavonoids characterized by the formation of an orange-yellow color, a stable foam for saponins and tannins marked in black. The quantitative analysis resulted alkaloids of 2228.06 mg/gram, flavonoids of 2.79 mg/gram, saponins of 10.03 mg/gram, and tannins of 1973.27 mg/gram. Keywords: Okra fruit, secondary metabolites, UV- Vis spectrophotometry, qualitative, quantitative.
<em><span>Eel fish (Anguilla marmorata Quoy Gaimard) is one of the strategic commodities to be developed because it has high nutritional value such as protein, fatty acid, vitamins and minerals. Minerals are one of the nutrients the body needs for the body's physiological processes. This study aims to determine the amount and mineral content of eel meat Anguilla marmorata Quoy Gaimard) originating from the river Palu and lake Poso. Sampling was done by Purposive sampling method based on type, weight 35-40 gram, size 300-450 mm and location of taking. Mineral testing on eel meat using laboratory experimental with Inductively Coupled Plasma Mass Spectrometry (ICP-MS). The results showed that the mineral content contained in yellow eel fish from Palu river contain</span><span lang="EN-US">s</span><span> potassium 1,519 mg/kg, magnesium 203 mg/kg, zinc 11,2 mg/kg, </span><span lang="EN-US">and </span><span>mercury 0,129 mg/kg; and </span><span lang="EN-US">from the </span><span> Poso lake contain</span><span lang="EN-US">s</span><span> potassium 1,360 mg/kg, magnesium 179 mg/kg, </span><span lang="EN-US">and </span><span>strontium 1.32 mg/kg. Based on this study can be concluded that there is influence the location again</span><span lang="EN-US">s</span><span>t the amount of mineral content.</span></em>
Objectives This study aims to evaluate the antioxidant and antiviral potency of n-hexane, ethyl acetate and, water fractions of Begonia medicinalis Ardi & D.C.Thomas as well as to identify the chemical constituents. Methods Assays for antioxidant and antiviral activity (HIV-1) were carried out on MT-4 cells infected with HIV using the DPPH method and the determination of the cytopathic effect. Meanwhile, GC-MS was used to identify the chemical compounds. Results The determination of antioxidants showed that all fractions possessed potent activity with the IC50 ranging from 2.61 to 8.26 μg/mL. From the antiviral activity of MT-4 cells infected by HIV, the n-hexane fraction of B. medicinalis showed the most potency with the IC50 of 0.04 ± 0.05 μg/mL. It has less cytotoxicity (11.08 ± 4.60 μg/mL) affording the high selectivity index of 238.80. Furthermore, GC-MS analysis of n-hexane fraction found the major compound of carboxylic acid derivate with the area percentage of 76.4% and the presence of phenolic compounds (8.38%). Meanwhile, in water fraction, terpenoids were found in a higher concentration (10.05%) than others. Conclusions Therefore, this study supports the application of B. medicinalis as a herbal medicine for antioxidant and antiviral.
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