Computational analysis of ethyl acetate extract of Nauclea subdita (Korth.) Steud. leaves as peptidoglycan glycosyltransferase inhibitor in Aeromonas hydrophila

Aisiah, Siti; Olga,; Tanod, Wendy Alexander; Salosso, Yuliana; Bambang,; Riyadi, Putut Har

doi:10.1088/1755-1315/584/1/012022

Cited by 4 publications

(3 citation statements)

References 26 publications

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“…Suppose 0.5<Pa<0.7, the chance of finding activity in the laboratory assay is moderate. If Pa<0.5, the chance of finding biological activity in an laboratory assay is very small (Basha et al, 2018;Aisiah et al, 2020).…”

Section: Resultsmentioning

confidence: 99%

CHARACTERIZATION OF ANTIOXIDANT COMPOUNDS FROM CELEBES SEA BAMBOO EXTRACTS (Isis hippuris) USING GC-MS

Tanod,

Dewanto,

Cahyono

et al. 2023

JPK UNTIRTA

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Sea bamboo (Isis hippuris) is one of the octocorallia classes that has unique biological activity and is beneficial for pharmaceutical development. Evaluation of bioactive compounds from sea bamboo collected from Sulawesi (Celebes) waters has been previously reported but lacks information. Gas chromatography and mass spectrometry (GC-MS) are one of the instruments used to evaluate bioactive compounds. This study aims to evaluate bioactive compounds from extracts of sea bamboo from Sulawesi by GC-MS, analyze their antioxidant properties using the DPPH method, and predict their activity computationally using PASS. Samples of sea bamboo were collected from Kabonga Besar Coast, Palu Bay, Central Sulawesi, Indonesia. Samples were extracted by maceration method using methanol: dichloromethane solvent (1:1). GC-MS evaluation identified six alkaloid-derived compounds, namely tetramethyldiaminoethane, dimethylisopropanolamine, 2,4-dimethylpyrrole, 1-(carboxymethyl)pyridinium chloride, pyridine, 3,4-dimethyl-, and N-nitroso-2-methylthiazolidine. The Celebes sea bamboo extracts have potent antioxidant activity. Tetramethyldiaminoethane and dimethylisopropanolamine compounds are predicted to have antioxidant abilities closely related to their role as NADPH-oxidase inhibitors.

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Section: Resultsmentioning

confidence: 99%

CHARACTERIZATION OF ANTIOXIDANT COMPOUNDS FROM CELEBES SEA BAMBOO EXTRACTS (Isis hippuris) USING GC-MS

Tanod,

Dewanto,

Cahyono

et al. 2023

JPK UNTIRTA

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“…Meanwhile, when the value is 0.3 ≤ Pa ≤ 0.7, then the compound has the computational ability as an antioxidant, but it has not been proven in the laboratory. Also, when the Pa < 0.3, it is predicted that the compound has a low bioactivity potential (Aisiah et al 2020;Riyadi et al 2021). However, the bioactivity of chlorophyll a and b may not be predicted by PASS analysis because they have a metal element in their structure.…”

Section: Resultsmentioning

confidence: 99%

Identification of pigment profiles and antioxidant activity of Rhizophora mucronata mangrove leaves origin Lembeh, North Sulawesi, Indonesia

Rumengan

Mandiangan²,

Tanod³

et al. 2021

Biodiversitas

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Abstract. Rumengan AP, Mandiangan ES, Tanod WA, Paransa DSJ, Paruntu CP, Mantiri DMH. 2021. Identification of pigment profiles and antioxidant activity of Rhizophora mucronata mangrove leaves origin Lembeh, North Sulawesi, Indonesia. Biodiversitas 22: 2805-2816. Mangroves plants contain unique pigments which can serve both nutraceutical and pharmaceutical purpose. Therefore, this preliminary study aims to identify the pigment profiles of Rhizophora mucronata mangrove leaves (HPLC method) and to computationally evaluate the antioxidant mechanism of the pigments (PASS and STITCH analysis). Furthermore, it evaluated the antioxidant capacity of R. mucronata leaves extracts (DPPH method), and the pigment profiles detected using HPLC were chlorophyll a (68.61%), chlorophyll b (27.69%), lutein (29.94%), beta-carotene (14.05%), pheophytin a (8.72), violaxanthin (5.19%), and neoxanthin (3.65%). Beta-carotene, lutein, neoxanthin, and violaxanthin were predicted to have potential as antioxidants properties using PASS analysis. While neoxanthin and violaxanthin were predicted as free radical scavengers, beta-carotene was an Nrf-2 stimulant. The STITCH analysis showed that the pigments contained in the leaves interacted synergistically by activating as antioxidant enzymes and inhibiting the expression of oxidative stress proteins. The ethanol extract of R. mucronata leaves may be a potent antioxidant with an IC50 20.99 ± 0.33 µg/mL. Therefore, the pigment contained in R. mucronata leaves is a potential source of antioxidants.

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“…Furthermore, the GC-MS compounds were predicted to have absorption, distribution, metabolism, and excretion-toxicity (ADMET) properties (http://lmmd.ecust.edu.cn/admetsar2/) [5]. Furthermore, the detected compounds' toxicity class (LD50) was predicted using Protox II (https://toxnew.charite.de/protox_II/) [26].…”

Section: Prediction Analysis Of Admet and Toxicity (Ld50)mentioning

confidence: 99%

Characteristics of analog coffee from the mangrove fruit Rhizophora mucronata origin Sangihe Islands

Mandeno,

Tanod,

Cahyono

et al. 2023

IOP Conf. Ser.: Earth Environ. Sci.

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Coffee is a popular drink today. One of the coastal resources that can be processed into coffee-like products (analog coffee) is the mangrove fruits Rhizophora mucronata. The fruits of R. mucronata were reported to contain antioxidant substances that can support human health. This study aimed to characterize analog coffee products from the fruit of R. mucronata. The fruits were collected from Miulu village, Sangihe Islands, North Sulawesi. Mangrove fruits were soaked in a 2% lime solution for 72 hours and dried at 60 °C. Then it was roasted at 116-118 °C for 40 minutes, and the sample was ground until it resembled coffee grounds. The findings revealed that the water content of analog coffee was 4.14 ± 0.14%; ash 4.97 ± 0.02%; protein 14.38 ± 0.02%; fat 12.26 ± 0.08%; carbohydrate 63.67 ± 0.09%, energy 422.58 ± 1.01 kcal, caffeine 1.20 ± 0.00%, tannins 808.21 ± 2.02 mg/kg, and antioxidant capacity IC50 131.28 ± 0.44 μg/mL. Furthermore, the analysis of compounds using GC-MS from the coffee analog of R. mucronata fruits was dominated by cis-9-Hexadecenal (50.95%) and 9-Octadecenal, (Z)-(33.97%). These research findings provide that analog coffee from the R. mucronata fruits has the potential to become a coffee-like product as a functional drink.

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Computational analysis of ethyl acetate extract of Nauclea subdita (Korth.) Steud. leaves as peptidoglycan glycosyltransferase inhibitor in Aeromonas hydrophila

Cited by 4 publications

References 26 publications

CHARACTERIZATION OF ANTIOXIDANT COMPOUNDS FROM CELEBES SEA BAMBOO EXTRACTS (Isis hippuris) USING GC-MS

CHARACTERIZATION OF ANTIOXIDANT COMPOUNDS FROM CELEBES SEA BAMBOO EXTRACTS (Isis hippuris) USING GC-MS

Identification of pigment profiles and antioxidant activity of Rhizophora mucronata mangrove leaves origin Lembeh, North Sulawesi, Indonesia

Characteristics of analog coffee from the mangrove fruit Rhizophora mucronata origin Sangihe Islands

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