Phytochemical Screening and Identification of Bioactive Constituents of the Chloroform Extract of Icacina trichantha Tuber Peel Oliv

This study was carried out to identify the bioactive constituents of the tuber peels of Icacina trichanthalinna of the Icacinales family. This plant is basically selected due to its widespread use in herbal treatment. Nine compounds were identified in the chloroform extract of the tuber peel. Undecane (43.254%),2-hexanone (23.299%), Dodecanoic acid ethyl ester (6.244%) and 9-octadecynoic acid (5.915%) appeared to be the most prevailing compounds and they are known to possess antibacterial, antiviral, antioxidant, antimycobacterial, hypercholesterolemic activities. Also identified was triarachine which has been reported to have some biological activity.

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SwissADME predictions of pharmacokinetics and drug-likeness properties of small molecules present in Spirulina platensis

IOP Conference Series Earth and Environmental Science ◽

10.1088/1755-1315/890/1/012021 ◽

2021 ◽

Vol 890 (1) ◽

pp. 012021

Author(s):

P H Riyadi ◽

Romadhon ◽

I D Sari ◽

R A Kurniasih ◽

T W Agustini ◽

...

Keyword(s):

Biological Activity ◽

Ethyl Ester ◽

Spirulina Platensis ◽

Octadecenoic Acid ◽

Acid Ethyl Ester ◽

Accurate Method ◽

Ethyl Linoleate ◽

Gas Chromatography Mass Spectrometry ◽

Dodecanoic Acid ◽

Chemical Profiles

Abstract Spirulina platensis is a microalga that is easy to cultivate. Spirulina platensis contains high antioxidants sourced from chemical compounds. Antioxidants can protect against oxidative stress and degenerative diseases. This study aimed to evaluate the chemical profiles of S. platensis using Gas Chromatography-Mass Spectrometry (GC-MS) and predict its biological activity using computational analysis (Absorption, Distribution, Metabolism, Excretion) using SwissADME. The GC-MS analysis of S. platensis extracts yielded twenty-four compounds. Spirulina platensis extracts contain twelve compounds with percentage more than 1%, namely Dodecanoic acid, ethyl ester (27.71%); Ethyl linoleate (19.47%); Octadecenamide (10.99%); Octadecane (9.02%); Methyl gamma-linolenoate (8.04%); 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- (6.92%); Neophytadiene (3.21%); Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester (2.68%); Ethyl 9-hexadecenoate (2.05%); 9-Octadecenoic acid (Z)- (1.47%); 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (1,44%); 9-Octadecenamide (1.15%); and 2-Hexadecene, 3,7,11,15-Tetramethyl-2-hexadecene- 1-ol (1%). The dominant compound was dodecanoic acid, ethyl ester. The potential biological activity of dodecanoic acid, ethyl ester, is antimicrobial, antioxidant, anti-cancer, anti-candida, mycelial growth inhibition. All compounds in the extract of S platensis met the druglikeness according to Lipisnki’s rules using SwissADME. SwissADME emerged to be simple, robust and accurate method to understand the ADME properties of the compounds present in Spirulina platensis phytoconstituents. The ADME analysis results indicated that S. platensis extracts could be developed as traditional medicine and nutraceutical products.

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Enhanced Production of Fatty Acid Ethyl Ester with Engineered fabHDG Operon in Escherichia coli

Microorganisms ◽

10.3390/microorganisms7110552 ◽

2019 ◽

Vol 7 (11) ◽

pp. 552 ◽

Cited By ~ 4

Author(s):

Ziaur Rahman ◽

Bong Hyun Sung ◽

Javed Nawab ◽

Muhammad Faisal Siddiqui ◽

Abid Ali ◽

...

Keyword(s):

Escherichia Coli ◽

Fatty Acid ◽

Ethyl Ester ◽

Feedback Inhibition ◽

Acid Ethyl Ester ◽

Fatty Acid Ethyl Ester ◽

Fatty Acyl ◽

Dodecanoic Acid ◽

E Coli ◽

Enhanced Production

Biodiesel, or fatty acid ethyl ester (FAEE), is an environmentally safe, next-generation biofuel. Conventionally, FAEE is produced by the conversion of oil/fats, obtained from plants, animals, and microorganisms, by transesterification. Recently, metabolic engineering of bacteria for ready-to-use biodiesel was developed. In Escherichia coli, it is produced by fatty acyl-carrier proteins and ethanol, with the help of thioesterase (TesB) and wax synthase (WS) enzymes. One of the foremost barriers in microbial FAEE production is the feedback inhibition of the fatty acid (FA) operon (fabHDG). Here, we studied the effect of biodiesel biosynthesis in E. coli with an engineered fabHDG operon. With a basic FAEE producing BD1 strain harboring tes and ws genes, biodiesel of 32 mg/L were produced. Optimal FAEE biosynthesis was achieved in the BD2 strain that carries an overexpressed operon (fabH, fabD, and fabG genes) and achieved up to 1291 mg/L of biodiesel, a 40-fold rise compared to the BD1 strain. The composition of FAEE obtained from the BD2 strain was 65% (C10:C2, decanoic acid ethyl ester) and 35% (C12:C2, dodecanoic acid ethyl ester). Our findings indicate that overexpression of the native FA operon, along with FAEE biosynthesis enzymes, improved biodiesel biosynthesis in E. coli.

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ChemInform Abstract: Synthesis and Biological Activity of (6-Phenoxy-1-pyrimidinylthio)acetic Acid Ethyl Ester.

ChemInform ◽

10.1002/chin.199005203 ◽

1990 ◽

Vol 21 (5) ◽

Author(s):

P. I. VAINILAVICHYUS ◽

V.-S. M. ROCHKA ◽

V. YU. SYADYARYAVICHYUTE ◽

A. A. DENENE ◽

A. B. BEGANSKENE ◽

...

Keyword(s):

Acetic Acid ◽

Biological Activity ◽

Ethyl Ester ◽

Acid Ethyl Ester

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Gas Chromatography-Mass Spectrometry (GC-MS) Analysis and Phytochemical Screening of Polyherbal Aqueous Leaves Extract (PALE)

Journal of Complementary and Alternative Medical Research ◽

10.9734/jocamr/2021/v14i230240 ◽

2021 ◽

pp. 10-18

Author(s):

M. Idu ◽

M. O. Aihiokhai ◽

C. A. Imoni ◽

C. E. Akokigho ◽

N. C. Olali

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Octadecadienoic Acid ◽

Octadecenoic Acid ◽

Acid Ethyl Ester ◽

Gas Chromatography Mass Spectrometry ◽

Phytochemical Screening ◽

Hexadecanoic Acid ◽

Bioactive Constituents ◽

Ms Analysis

Background: Polyherbal plant extracts which usually comprise of two or more plant parts often contain a wide array of key phytoactive constituents relevant in attaining greater therapeutic efficacy. The active constituents derived from individual plants are insufficient to provide attractive pharmacological action when compared to a combination of multiple herbs. Objective: To conduct phytochemical screening of polyherbal aqueous leaf extracts (PALE) and analysis of compounds present in it by gas chromatography-mass spectrometry (GC-MS). Materials and Methods: The polyherbal extract was prepared from the combined aqueous extracts of leaves of Alchornea cordifolia, Sorghum bicolor and Pennisetum glaucum using ratio 1:1:1 w/v. Phytochemical screening was done via standard analytical methods. The identification and characterization of compounds by GC-MS analysis was performed on gas chromatography system coupled with mass spectrometry. Results: The phytochemical analysis of PALE revealed the presence of phenols, saponins, flavonoids, alkaloids and tannins in varying quantities. GC-MS analysis of the extract depicts the presence of key bioactive compounds. Thirty-two bioactive compounds were identified with various retention time and % peaks. The major compounds identified in terms of % peak area are n-Hexadecanoic acid (6.72), Hexadecanoic acid, ethyl ester (7.28), 9,12-Octadecadienoic acid (16.54) and 9-Octadecenoic acid ethyl ester (12.92). Disulfide, dimethyl (0.04), 2-Methoxy-4-vinylphenol (0.28), 1-Dodecanol (0.85), 10-Phenyldecanoic acid (0.12), 1-Hexadecanol (0.75), Methoxyacetic acid, pentadecyl ester (0.27), 9-Octadecenoic acid (Z)-, phenylmethyl ester (0.16), Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) (1.09), were among the minor compounds identified in the extract. From the study, 9,12-Octadecadienoic acid indicated the highest peak with a retention time of 20.556 minutes and % peak area of 16.54%. Conclusion: The presence of the revealed bioactive constituents in PALE may suggest its nutraceutical, pharmacological and therapeutic relevance. Therefore, in view of the medicinal importance associated with the observed bioactive constituents, further studies on the toxicity level of the extract is advised subsequently.

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The Honey Volatile Code: A Collective Study and Extended Version

Foods ◽

10.3390/foods8100508 ◽

2019 ◽

Vol 8 (10) ◽

pp. 508 ◽

Cited By ~ 1

Author(s):

Karabagias ◽

Badeka

Keyword(s):

Ethyl Ester ◽

Octanoic Acid ◽

Solid Phase ◽

Hierarchical Classification ◽

Acid Ethyl Ester ◽

Decanoic Acid ◽

Nonanoic Acid ◽

Dodecanoic Acid ◽

Tetradecanoic Acid ◽

Geranyl Acetone

Background: The present study comprises the second part of a new theory related to honey authentication based on the implementation of the honey code and the use of chemometrics. Methods: One hundred and fifty-one honey samples of seven different botanical origins (chestnut, citrus, clover, eucalyptus, fir, pine, and thyme) and from five different countries (Egypt, Greece, Morocco, Portugal, and Spain) were subjected to analysis of mass spectrometry (GC-MS) in combination with headspace solid-phase microextraction (HS-SPME). Results: Results showed that 94 volatile compounds were identified and then semi-quantified. The most dominant classes of compounds were acids, alcohols, aldehydes, esters, ethers, phenolic volatiles, terpenoids, norisoprenoids, and hydrocarbons. The application of classification and dimension reduction statistical techniques to semi-quantified data of volatiles showed that honey samples could be distinguished effectively according to both botanical origin and the honey code (p < 0.05), with the use of hexanoic acid ethyl ester, heptanoic acid ethyl ester, octanoic acid ethyl ester, nonanoic acid ethyl ester, decanoic acid ethyl ester, dodecanoic acid ethyl ester, tetradecanoic acid ethyl ester, hexadecanoic acid ethyl ester, octanal, nonanal, decanal, lilac aldehyde C (isomer III), lilac aldehyde D (isomer IV), benzeneacetaldehyde, alpha-isophorone, 4-ketoisophorone, 2-hydroxyisophorone, geranyl acetone, 6-methyl-5-hepten-2-one, 1-(2-furanyl)-ethanone, octanol, decanol, nonanoic acid, pentanoic acid, 5-methyl-2-phenyl-hexenal, benzeneacetonitrile, nonane, and 5-methyl-4-nonene. Conclusions: New amendments in honey authentication and data handling procedures based on hierarchical classification strategies (HCSs) are exhaustively documented in the present study, supporting and flourishing the state of the art.

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GC-MS Analysis and Biomedical Therapy of Oil from n-Hexane Fraction of Scutellaria edelbergii Rech. f.: In Vitro, In Vivo, and In Silico Approach

Molecules ◽

10.3390/molecules26247676 ◽

2021 ◽

Vol 26 (24) ◽

pp. 7676

Author(s):

Muddaser Shah ◽

Waheed Murad ◽

Najeeb Ur Rehman ◽

Sidra Mubin ◽

Jamal Nasser Al-Sabahi ◽

...

Keyword(s):

Ethyl Ester ◽

Ethyl Oleate ◽

Acid Ethyl Ester ◽

Hexane Fraction ◽

Bioactive Constituents ◽

Ms Analysis ◽

Ic50 Values ◽

Anti Inflammatory

The current study aimed to explore the crude oils obtained from the n-hexane fraction of Scutellaria edelbergii and further analyzed, for the first time, for their chemical composition, in vitro antibacterial, antifungal, antioxidant, antidiabetic, and in vivo anti-inflammatory, and analgesic activities. For the phytochemical composition, the oils proceeded to gas chromatography-mass spectrometry (GC-MS) analysis and from the resultant chromatogram, 42 bioactive constituents were identified. Among them, the major components were linoleic acid ethyl ester (19.67%) followed by ethyl oleate (18.45%), linolenic acid methyl ester (11.67%), and palmitic acid ethyl ester (11.01%). Tetrazolium 96-well plate MTT assay and agar-well diffusion methods were used to evaluate the isolated oil for its minimum inhibitory concentrations (MIC), minimum bactericidal concentration (MBC), half-maximal inhibitory concentrations (IC50), and zone of inhibitions that could determine the potential antimicrobial efficacy’s. Substantial antibacterial activities were observed against the clinical isolates comprising of three Gram-negative bacteria, viz., Escherichia coli, Klebsiella pneumoniae, and Pseudomonas aeruginosa, and one Gram-positive bacterial strain, Enterococcus faecalis. The oils were also effective against Candida albicans and Fusarium oxysporum when evaluated for their antifungal potential. Moreover, significant antioxidant potential with IC50 values of 136.4 and 161.5 µg/mL for extracted oil was evaluated through DPPH (1,1-Diphenyl-2-picryl-hydrazyl) and ABTS assays compared with standard ascorbic acid where the IC50 values were 44.49 and 67.78 µg/mL, respectively, against the tested free radicals. The oils was also potent, inhibiting the α-glucosidase (IC50 5.45 ± 0.42 µg/mL) enzyme compared to the standard. Anti-glucosidase potential was visualized through molecular docking simulations where ten compounds of the oil were found to be the leading inhibitors of the selected enzyme based on interactions, binding energy, and binding affinity. The oil was found to be an effective anti-inflammatory (61%) agent compared with diclofenac sodium (70.92%) via the carrageenan-induced assay. An appreciable (48.28%) analgesic activity in correlation with the standard aspirin was observed through the acetic acid-induced writhing bioassay. The oil from the n-hexane fraction of S. edelbergii contained valuable bioactive constituents that can act as in vitro biological and in vivo pharmacological agents. However, further studies are needed to uncover individual responsible compounds of the observed biological potentials which would be helpful in devising novel drugs.

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