scholarly journals Metabolite Profiling of 96% Ethanol Extract from Marsilea crenata Presl. Leaves Using UPLC-QToF-MS/MS and Anti-Neuroinflammatory Predicition Activity with Molecular Docking

2019 ◽  
Vol 4 (6) ◽  
pp. 261-270
Author(s):  
Burhan Ma’arif ◽  
Denis ◽  
Arief Suryadinata ◽  
Artabah ◽  
Hening Laswati ◽  
...  

Phytoestrogen is a group of compounds that can replace the estrogen function in the body. One of its roles was as anti-neuroinflammatory by inhibiting the microglia M1 polarity activation. Marsilea crenata Presl. is a plant that suspected to contain phytoestrogens. The aim of this research was to determine the metabolite profile of 96% ethanol extract of M. crenata using UPLC-QToF-MS/MS, and prediction the anti-neuroinflammatory activity of compounds with molecular docking. The 100 ppm of 96% ethanol extract in DCM and methanol were injected 5 µl each into the UPLC-QToF-MS/MS, and then analyzed by Masslynx 4.1 software to determine the compounds. The result of metabolite profiling shows a total 59 compounds in both DCM and methanol. Molecular docking was done with Autodock 4.2.6. After being analyzed, there are 3 compounds that are predicted to have activities similar to 17β-estradiol, they are prochlorperazine, 12-Aminododecanoic acid, and 1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidaol-5-amine hydrochloride. The results showed that the three compounds were predicted to be phytoestrogen compounds from M. crenata leaves, which have potential as anti-neuroinflammatory.

2021 ◽  
Vol 13 (2) ◽  
pp. 10791
Author(s):  
Thejanuo RHETSO ◽  
Roopa M. SESHADRI ◽  
Shubharani RAMNATH ◽  
Sivaram VENKATARAMEGOWDA

Allium chinense, a main source of “Xiebai” drug in Chinese traditional medicine and commonly known as Ganoderma lucidum belongs to the family Amaryllidaceae. The main focus of this research was to quantify the secondary metabolites, antioxidant potential and study the GC- MS based metabolite profile of different solvent leaf extracts of A. chinense. The reports on the bioactive compounds of A. chinense leaves are still insufficient compared to the bulb; hence this study was carried out to understand the bioactive compounds present in A. chinense leaves using different solvents of varying polarity. Our investigation showed that the ethanol extract contained the highest saponin, flavonoid, phenol, and DPPH scavenging activity. Further, metabolite profiling revealed a total of forty-eight compounds, indicating a diverse range of phytochemicals present in the four extracts. The highest number of compounds were observed in ethanol extract (15) followed by chloroform extract (13), petroleum ether extract (11) and methanol extract (9). Some of the major compounds identified in the four solvents are octacosane (27.11%), heptadecane (19.66%), eicosane (18.51%), ethyl palmitate (18.50%), phytol (17.68%) and phytol acetate (17.30%). In conclusion, this study highlights that A. chinense leaf extracts contain high saponins, terpenes and alkanes which could be a potential source of a new beneficial drug.


Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3377 ◽  
Author(s):  
Mohamed A. Farag ◽  
Asmaa M. Otify ◽  
Aly M. El-Sayed ◽  
Camilia G. Michel ◽  
Shaimaa A. ElShebiney ◽  
...  

Interest in developing coffee substitutes is on the rise, to minimizing its health side effects. In the Middle East, date palm (Phoenix dactylifera L.) pits are often used as a coffee substitute post roasting. In this study, commercially-roasted date pit products, along with unroasted and home-prepared roasted date pits, were subjected to analyses for their metabolite composition, and neuropharmacological evaluation in mice. Headspace SPME-GCMS and GCMS post silylation were employed for characterizing its volatile and non-volatile metabolite profile. For comparison to roasted coffee, coffee product was also included. There is evidence that some commercial date pit products appear to contain undeclared additives. SPME headspace analysis revealed the abundance of furans, pyrans, terpenoids and sulfur compounds in roasted date pits, whereas pyrroles and caffeine were absent. GCMS-post silylation employed for primary metabolite profiling revealed fatty acids’ enrichment in roasted pits versus sugars’ abundance in coffee. Biological investigations affirmed that date pit showed safer margin than coffee from its LD50, albeit it exhibits no CNS stimulant properties. This study provides the first insight into the roasting impact on the date pit through its metabolome and its neuropharmacological aspects to rationalize its use as a coffee substitute.


2020 ◽  
Vol 22 (1) ◽  
pp. 230
Author(s):  
Jeremy Carlier ◽  
Xingxing Diao ◽  
Raffaele Giorgetti ◽  
Francesco P. Busardò ◽  
Marilyn A. Huestis

For more than ten years, new synthetic cathinones (SCs) mimicking the effects of controlled cocaine-like stimulants have flooded the illegal drug market, causing numerous intoxications and fatalities. There are often no data on the pharmacokinetics of these substances when they first emerge onto the market. However, the detection of SC metabolites is often critical in order to prove consumption in clinical and forensic settings. In this research, the metabolite profile of two pyrrolidinyl SCs, α-pyrrolidinohexaphenone (α-PHP) and 4′′-fluoro-α-pyrrolidinovalerophenone (4F-α-PVP), were characterized to identify optimal intake markers. Experiments were conducted using pooled human hepatocyte incubations followed by liquid chromatography–high-resolution tandem mass spectrometry and data-mining software. We suggest α-PHP dihydroxy-pyrrolidinyl, α-PHP hexanol, α-PHP 2′-keto-pyrrolidinyl-hexanol, and α-PHP 2′-keto-pyrrolidinyl as markers of α-PHP use, and 4F-α-PVP dihydroxy-pyrrolidinyl, 4F-α-PVP hexanol, 4F-α-PVP 2′-keto-pyrrolidinyl-hexanol, and 4F-α-PVP 2′-keto-pyrrolidinyl as markers of 4F-α-PVP use. These results represent the first data available on 4F-α-PVP metabolism. The metabolic fate of α-PHP was previously studied using human liver microsomes and urine samples from α-PHP users. We identified an additional major metabolite (α-PHP dihydroxy-pyrrolidinyl) that might be crucial for documenting exposure to α-PHP. Further experiments with suitable analytical standards, which are yet to be synthesized, and authentic specimens should be conducted to confirm these results.


2020 ◽  
Vol 7 (1) ◽  
pp. 11-18
Author(s):  
Noni Zakiah ◽  
Vonna Aulianshah ◽  
T. Maulana Hidayatullah ◽  
Faridah Hanum

Kegunaan labu kuning di Indonesia masih sebatas daging buah yang dapat diolah menjadi panganan seperti kue basah, kolak dan sayur berkuah. Secara empiris, biji labu kuning telah digunakan untuk mengatasi cacingan. Penelitian ini dilakukan untuk mengetahui mortalitas cacing gelang (Ascaridia galli) dalam ekstrak etanol biji labu kuning (Cucurbita moschata Duchesne). Penelitian ini menggunakan 25 ekor Ascaridia galli yang dibagi menjadi 5 kelompok, kelompok I kontrol negatif menggunakan larutan NaCl fisiologis, kelompok II kontrol positif menggunakan larutan pirantel pamoat 0,5 %, kelompok III, IV dan V berturut-turut menggunakan 25 mg/ml, 50 mg/ml dan 100 mg/ml ekstrak etanol biji labu kuning. Parameter penelitian ini ditentukan dengan melihat persentase nilai skor pasca inkubasi 12 jam, 24 jam, dan 36 jam. Skor 3 diberikan apabila seluruh tubuh Ascaridia galli bergerak, skor 2 diberikan jika hanya sebagian tubuh Ascaridia galli bergerak, skor 1 jika Ascaridia galli diam tetapi masih hidup, dan skor 0 apabila Ascaridia galli mati. Hasil uji in vitro dengan perlakuan 25 mg/ml ekstrak etanol biji labu kuning menyebabkan kematian 3 ekor Ascaridia galli  atau 60% pasca inkubasi 36 jam, sedangkan ekstrak etanol biji labu kuning dengan perlakuan 50 mg/ml, 100 mg/ml dan kelompok kontrol positif mengakibatkan kematian 4 ekor Ascaridia galli atau 80% pasca inkubasi 36 jam. Dari hasil penelitian disimpulkan bahwa ekstrak etanol biji labu kuning (Cucurbita moschata Duchesne) dosis 25 mg/ml, 50 mg/ml, dan 100 mg/ml secara in vitro dalam waktu 36 jam mampu mengakibatkan mortalitas Ascaridia galli. The use of yellow pumpkin in Indonesia is still limited to fruit meat that can be processed into snacks such as soggy cakes, porridge and vegetable soup. This research was conducted to determine the mortality of Ascaridia galli in ethanol extract of yellow pumpkin seeds (Cucurbita moschata Duchesne). This study used 25 Ascaridia galli which were divided into 5 groups, group I was negative control using physiological NaCl solution, group II was positive control using 0.5% pirantel pamoate solution, group III, IV and V respectively used 25 mg / ml, 50 mg/ml and 100 mg/ml ethanol extract of yellow pumpkin seeds. The parameters of this study were determined by looking at the percentage of post-incubation scores 12 hours, 24 hours, and 36 hours. A score of 3 is given if the whole body of Ascaridia galli moves, a score of 2 is given if only part of the body of Ascaridia galli moves, a score of 1 if Ascaridia galli is still but still alive, and a score of 0 if Ascaridia galli dies. In vitro test results with 25 mg/ml ethanol extract of pumpkin seeds caused 3 deaths of Ascaridia galli or 60% after incubation for 36 hours, while ethanol extract of yellow pumpkin seeds treated with 50 mg / ml, 100 mg/ml and positive control group resulting in the death of 4 Ascaridia galli or 80% after 36 hours incubation. From the results of the study concluded that the ethanol extract of yellow pumpkin seeds (Cucurbita moschata Duchesne) doses of 25 mg / ml, 50 mg / ml, and 100 mg / ml in vitro within 36 hours can lead to Ascaridia galli mortality.


2010 ◽  
Vol 8 (1) ◽  
pp. 11-16
Author(s):  
BAARID LUQMAN HAMIDI ◽  
SAMIGUN SAMIGUN ◽  
ANIK LESTARI

Hamidi BL, Samigun, Lestari A. 2010. The effect of extract ethanol of pegagan (Centella asiatica) on the performance of Wistar rats after restraint stress. Biofarmasi 8: 11-16. The aim of this research was to investigate the effects of extract ethanol of pegagan (Centella asiatica) after treated with restraint stress by measuring the eight arms radial maze performance of rats. Pre-test and post-test controlled groups design was applied in this research. Male Wistar rats (Rattus novergicus) with the mean age of 8 weeks and the body weight of 150-200 grams which used for sample were divided randomly into 4 groups, each group consisted of 6 rats, i.e. (i) control group (without any treatment), (ii) stress group (it was given by restraint stress for 2 hours/day for each rat), (iii) pegagan group (it was given by 0.3 mg/g BW/day/rat extract ethanol of pegagan), and (iv) pegagan and stress group (it was given by 0.3 mg/g BW/day/rat extract ethanol of pegagan and restraint stress for 2 hours/day for each rat). The treatments were given for 21 days. Within 12 days for each pre-treatment and post-treatment, a test on the eight arm radial maze was conducted on individual rat to observe its performance. The assessment of rat performance in the eight arms radial maze test was conducted based on error type B. Kruskal-Wallis and Mann-Whitney tests with SPSS for Windows 16 version were applied to analyze statistically the difference between four groups. Kruskal-Wallis test was used to show the significant performance level difference between four groups of rats with p=0.001, while Mann-Whitney test was used to determine the significant difference between stress group and pegagan group (p=0.001), also stress group and pegagan and stress group (p=0.001). The result of research showed that there was no significant difference between control group and stress group (p=0.051), control group and pegagan group (p=0.143), control group and pegagan and stress group (p=0.143), also pegagan group and pegagan and stress group (p=0.952). It was concluded that extract ethanol of pegagan improved the performances of rats on the eight arms radial maze after treated with restraint stress.


PLoS ONE ◽  
2021 ◽  
Vol 16 (4) ◽  
pp. e0248964
Author(s):  
Jun-dae Kim ◽  
Lingping Zhu ◽  
Quan Sun ◽  
Longhou Fang

Emerging studies indicate that APOA-I binding protein (AIBP) is a secreted protein and functions extracellularly to promote cellular cholesterol efflux, thereby disrupting lipid rafts on the plasma membrane. AIBP is also present in the mitochondria and acts as an epimerase, facilitating the repair of dysfunctional hydrated NAD(P)H, known as NAD(P)H(X). Importantly, AIBP deficiency contributes to lethal neurometabolic disorder, reminiscent of the Leigh syndrome in humans. Whereas cyclic NADPHX production is proposed to be the underlying cause, we hypothesize that an unbiased metabolic profiling may: 1) reveal new clues for the lethality, e.g., changes of mitochondrial metabolites., and 2) identify metabolites associated with new AIBP functions. To this end, we performed unbiased and profound metabolic studies of plasma obtained from adult AIBP knockout mice and control littermates of both genders. Our systemic metabolite profiling, encompassing 9 super pathways, identified a total of 640 compounds. Our studies demonstrate a surprising sexual dimorphism of metabolites affected by AIBP deletion, with more statistically significant changes in the AIBP knockout female vs male when compared with the corresponding controls. AIBP knockout trends to reduce cholesterol but increase the bile acid precursor 7-HOCA in female but not male. Complex lipids, phospholipids, sphingomyelin and plasmalogens were reduced, while monoacylglycerol, fatty acids and the lipid soluble vitamins E and carotene diol were elevated in AIBP knockout female but not male. NAD metabolites were not significantly different in AIBP knockout vs control mice but differed for male vs female mice. Metabolites associated with glycolysis and the Krebs cycle were unchanged by AIBP knockout. Importantly, polyamine spermidine, critical for many cellular functions including cerebral cortex synapses, was reduced in male but not female AIBP knockout. This is the first report of a systemic metabolite profile of plasma samples from AIBP knockout mice, and provides a metabolic basis for future studies of AIBP regulation of cellular metabolism and the pathophysiological presentation of AIBP deficiency in patients.


2021 ◽  
Vol 332 ◽  
pp. 08005
Author(s):  
Aminah Dalimunthe ◽  
Dewi Pertiwi ◽  
Mahatir Muhammad ◽  
Denny Satria

Free radicals also play a role in the pathology of various degenerative diseases such as cancer, rheumatism, coronary heart disease, cataracts, and others. Free radicals can come from within the body (endogenous) and outside the body (exogenous). Litsea cubeba (Lour,) is a Lauraceae family plant which have contents volatile oils which used as antimicrobial, anticancer on breast cancer, pesticide, antideppressants, antiinflammation, antioxidant, and neuro pharmacology. The extract was prepared using water with the soxhletation method. The antioxidant activity was determined with the 1,1-diphenyl-2-picrylhydrazyl (DPPH), 2,2’-Azinobis [3-ethylbenzothiazoline-6)-sulfonic acid] -diammonium salt (ABTS) and Ferric Reducing Antioxidant Power (FRAP) methods. Total flavonoid and total phenolic content were determined with colorimetric methods. Antioxidant activity measured as IC50 was 23.37 ± 0.42 µg/mL; 111.21 ± 0.42 and 109.01 ± 0.28 respectively. The extract was found to contain high levels of total phenolic (282.93 ± 0.33 mg GAE/g) and total flavonoid 7.49 ± 0.51 mg QE/g). The results reveal that ethanol extract of Litsea cubeba Lour. Bark has antioxidant potential. The further analysis is to isolation antioxidant compound.


2019 ◽  
Vol 73 ◽  
pp. 909-919
Author(s):  
Ewa Sawicka ◽  
Arkadiusz Woźniak ◽  
Małgorzata Drąg-Zalesińska ◽  
Agnieszka Piwowar

Oncological diseases, due to the still increasing morbidity and mortality, are one of the main problems of modern medicine. Cancer of the mammary gland is the most common cancer among women around the world, and is the second cause of cancer deaths in this group, immediately after lung cancer. This kind of cancer belongs to an estrogen-dependent cancer, with proven associations with hormonal disorders in the body, occurring especially in the perimenopausal period and among women using hormone replacement therapy, as well as a result of the action of various xenobiotics that may interact with the estrogen receptor. Hormone steroids are widely used in medicine and their side effects are constantly discussed. The role of these compounds and their metabolites in maintaining hormonal balance is well understood, while many studies indicate the possible contribution of these steroids in the progression of the cancer process, especially in mammary gland tissue. Therefore, the genotoxic action of this group of compounds is still studied. Due to the limited number of scientific reports, the aim of this paper was to review and critically analyze data from the literature regarding the participation of estrogens (17β-estradiol) and their metabolites (2-methoxy estradiol, 4-hydroxy estradiol, 16α-hydroxyestrone) in the induction of carcinogenesis in mammary gland, in particular concerning the genotoxic activity of 17β-estradiol metabolites.


Author(s):  
Adryan Fristiohady ◽  
Muhammad Hajrul Malaka ◽  
Andi Rizqa Wahyuni Safitri ◽  
Dewo Diha ◽  
Saripuddin Saripuddin ◽  
...  

Inflammation is the host's protective response to any stimulus that harms the body. Excessive inflammatory process causes tissue damage. Therefore, an anti-inflammatory agent is needed. The use of natural ingredients, especially sea sponges, is an option to reduce the side effects of anti-inflammatory agents. This utilization is related to the discovery of new agents. So, we tested the effect of the ethanol extract of Petrosia sp. as an anti-inflammatory agent. Animal induced with 1% carrageenan and left for 1 hour. After that the animals were divided into 6 groups (n = 4) and given oral treatment, namely: Group I (normal group); Group II (negative group); Group III (ethanol extract of Petrosia sp. Concentration of 0.05mg/ml); Group IV (ethanol extract of Petrosia sp. Concentration 0.1mg/ml); Group V (ethanol extract of Petrosia sp. Concentration 0.2mg/ml); and Group VI (positive group, Diclofenac Sodium). After 1 hour, the animals were measured for edema volume and plasma TNF-α levels. Based on the research conducted, the ethanol extract of Petrosia sp. decreased edema volume and plasma TNF-α levels in inflammatory mice. The concentration of 0.2mg/mL had a significant effect on the negative control used (p <0.05). On the other hand, Petrosia sp. indicates the presence of alkaloids, flavonoids, and steroids. They may play an important role in the anti-inflammatory process. Thus, it can be concluded that the ethanol extract of Petrosia sp. has anti-inflammatory activity.


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