scholarly journals The hydroperoxyl radical scavenging activity of sulfuretin: insights from theory

2021 ◽  
Vol 8 (7) ◽  
pp. 210626
Author(s):  
Nguyen Thi Hoa ◽  
Do Thi Ngoc Hang ◽  
Do Phu Hieu ◽  
Huynh Van Truong ◽  
Loc Phuoc Hoang ◽  
...  
Keyword(s):  
Ascorbic Acid ◽  
Density Functional ◽  
Hydrogen Transfer ◽  
Biological Activities ◽  
Radical Scavenging ◽  
Transfer Mechanism ◽  
Radical Scavenger ◽  
Scavenging Activity ◽  
Hydroperoxyl Radical ◽  
Electron Transfer Mechanism

Sulfuretin (SFR), which is isolated from Rhus verniciflua , Toxicodendron vernicifluum, Dahlia, Bidens tripartite and Dipterx lacunifera , is one of the most important natural flavonoids. This compound is known to have numerous biological activities; among these, the antioxidant activity has not been thoroughly studied yet. In this study, the hydroperoxyl scavenging activity of SFR was examined by using density functional theory calculations. SFR is predicted to be an excellent HOO • scavenger in water at pH = 7.40 with k overall = 4.75 × 10 7 M −1 s −1 , principally due to an increase in the activity of the anionic form following the single-electron transfer mechanism. Consistently, the activity of the neutral form is more prominent in the non-polar environment with k overall = 1.79 × 10 4 M −1 s −1 following the formal hydrogen transfer mechanism. Thus, it is predicted that SFR exhibits better HOO • antiradical activity than typical antioxidants such as resveratrol, ascorbic acid or Trolox in the lipid medium. The hydroperoxyl radical scavenging of SFR in the aqueous solution is approximately 530 times faster than that of Trolox and similar to ascorbic acid or resveratrol. This suggests that SFR is a promising radical scavenger in physiological environments.

Synthesis and Biological Activities of Hydroxytyrosol Ester Derivatives

2020 ◽  
Vol 42 (1) ◽  
pp. 109-109
Author(s):  
Hao Zang Hao Zang ◽  
Qian Xu Qian Xu ◽  
Luyun Zhang Luyun Zhang ◽  
Guangqing Xia Guangqing Xia ◽  
Jiaming Sun and Junyi Zhu Jiaming Sun and Junyi Zhu
Keyword(s):  
Ascorbic Acid ◽  
Antioxidant Activities ◽  
Biological Activities ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Acetylcholinesterase Inhibition ◽  
Hydroxyl Group ◽  
Scavenging Activity ◽  
Antioxidant Power ◽  
Better Than

A series of hydroxytyrosol (HT) derivatives were synthesized by modification of alcohol hydroxyl group of HT, twenty-five target compounds were obtained and characterized by NMR and HRMS. The antioxidant activities of those compounds were evaluated in three different assays. Except 3e and 3y, all other compounds demonstrated significant 2,2and#39;-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) free radical cation scavenging activity ranging from IC50 3.4 to 24.4 μM, which were more potent than L-ascorbic acid (IC50=24.8 μM). Compounds 3b-3d, 3f-3k, 3m-3x were better than Trolox (18.3 M). Moreover, the ferric reducing antioxidant power (FRAP) of all compounds were discovered to be more potent than L-ascorbic acid (40.7 mmol/g), except 3e, all other compounds (141.5-202.1 mmol/g) were better than Trolox (94.7 mmol/g). Compounds 3a-3d, 3f-3j, 3l-3m, 3o, 3q, 3t, 3v-3y exhibited more potent hydroxyl radical scavenging activity (IC50=245.1-475.1 M) than L-ascorbic acid (554.4 M) and Trolox (500.4 M). Compounds 3q, 3t and 3y exhibited more potent -Glucosidase inhibition activity (39.1-52.4 M) than Acarbose (60.9 M). Compounds 3a, 3d, 3f-3m, 3s-3t, 3v-3y showed some acetylcholinesterase inhibition activities, compounds 3a, 3d, 3f-3j, 3l-3m, 3o-3p, 3s-3t, 3w showed some butyrylcholinesterase inhibition activities.

Chalcones and Bis-Chalcones Analogs as DPPH and ABTS Radical Scavengers

2020 ◽  
Vol 17 ◽  
Author(s):  
Adebayo Tajudeen Bale ◽  
Uzma Salar ◽  
Khalid Mohammed Khan ◽  
Sridevi Chigurupati ◽  
Tolulope Fasina ◽  
...  
Keyword(s):  
Ascorbic Acid ◽  
Natural Products ◽  
Radical Scavenging ◽  
Radical Scavenger ◽  
Scavenging Activity ◽  
Radical Scavengers ◽  
Structure Activity ◽  
Synthetic Scaffolds ◽  
Potential Methods

Background: A number of synthetic scaffolds along with natural products have been identified as potent antioxidants. The present study deals with the evaluation of varyingly substituted, medicinally distinct class of compounds “chalcones and bis-chalcones” for their antioxidant potential. Methods: In vitro radical scavenging activities were performed on a series of synthetic chalcones 1-13 and bis-chalcones 14- 18. Results and Discussion: All molecules 1-18 revealed a pronounced 2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2ʹ-azinobis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radicals scavenging potential in the ranges of IC50s = 0.58 ± 0.14 - 1.72 ± 0.03 and 0.49 ± 0.3 - 1.48 ± 0.06 µM, respectively. Ascorbic acid (IC50s = 0.5 ± 0.1 and 0.46 ± 0.17 µM for DPPH and ABTS, respectively) was used as standard radical scavenger. Conclusion: Structure activity relationship (SAR) revealed an active participation of various groups including -SMe and - OMe in scavenging activity.

Insights into the mechanisms and kinetics of the hydroperoxyl radical scavenging activity of Artepillin C

2021 ◽  
Author(s):  
Houssem Boulebd ◽  
Adam Mechler ◽  
Nguyen Thi Hoa ◽  
Pham Cam Nam ◽  
Duong Tuan Quang ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Single Electron ◽  
Scavenging Activity ◽  
Single Electron Transfer ◽  
Hydroperoxyl Radical ◽  
Electron Transfer Mechanism ◽  
Artepillin C ◽  
Kinetics Of

Through the single electron transfer mechanism, Artepillin C scavenges the hydroperoxyl radical in water approximately 572 times faster than Trolox.

scholarly journals Theoretical insights into the antiradical activity and copper-catalysed oxidative damage of mexidol in the physiological environment

2022 ◽  
Vol 9 (1) ◽  
Author(s):  
Nguyen Thi Hoa ◽  
Mai Van Bay ◽  
Adam Mechler ◽  
Quan V. Vo
Keyword(s):  
Oxidative Damage ◽  
Chemical Structure ◽  
Hydrogen Transfer ◽  
Therapeutic Agent ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Reduction Reaction ◽  
Scavenging Activity ◽  
Hydroperoxyl Radical ◽  
Transfer Mechanisms

Mexidol ( MD , 2-ethyl-6-methyl-3-hydroxypyridine) is a registered therapeutic agent for the treatment of anxiety disorders. The chemical structure suggests that MD may also act as an antioxidant. In this study, the hydroperoxyl radical scavenging activity of MD was studied to establish baseline antioxidant activity, followed by an investigation of the effect of MD on the copper-catalysed oxidative damage in biological systems, using computational methods. It was found that MD exhibits moderate radical scavenging activity against HOO • in water and pentyl ethanoate solvents following the single electron transfer and formal hydrogen transfer mechanisms, respectively. MD can chelate Cu(II), forming complexes that are much harder to reduce than free Cu(II): MD chelation completely quenches the Cu(II) reduction by ascorbic acid and suppresses the rate of reduction reaction by O 2 ⋅ − that are the main reductants of Cu(II) in biological environments. Therefore, MD exerts its anti-HO • activity primarily as an OIL-1 inhibitor.

scholarly journals Synthesis, Antiproliferative Activity and Radical Scavenging Ability of 5-O-Acyl Derivatives of Quercetin

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1608
Author(s):  
Stephen Lo ◽  
Euphemia Leung ◽  
Bruno Fedrizzi ◽  
David Barker
Keyword(s):  
Antiproliferative Activity ◽  
Biological Activities ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Breast Cancer Cell Lines ◽  
Scavenging Activity ◽  
Plant Materials ◽  
Wide Range ◽  
Derivatives Of ◽  
Acyl Derivatives

Quercetin is a flavonoid that is found in many plant materials, including commonly eaten fruits and vegetables. The compound is well known for its wide range of biological activities. In this study, 5-O-acyl derivatives of quercetin were synthesised and assessed for their antiproliferative activity against the HCT116 colon cancer and MDA-MB-231 breast cancer cell lines; and their radical scavenging activity against the 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical cation and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical species. Four derivatives were found to have improved the antiproliferative activity compared to quercetin whilst retaining radical scavenging activity.

scholarly journals GC-MS Assisted Phytoactive Chemical Compounds Identification and Profiling with Mineral Constituents from Biologically Active Extracts of Aerva javanica (Burm. f) Juss. ex Schult.

2018 ◽  
Vol 46 (2) ◽  
pp. 517-524
Author(s):  
Kandhan KARTHISHWARAN ◽  
Subban KAMALRAJ ◽  
Chelliah JAYABASKARAN ◽  
Shyam S. KURUP ◽  
Sabitha SAKKIR ◽  
...  
Keyword(s):  
Biological Activities ◽  
Radical Scavenging Activity ◽  
Antioxidant Properties ◽  
Radical Scavenging ◽  
Biologically Active ◽  
Scavenging Activity ◽  
Medicinal Uses ◽  
Chemical Structures ◽  
Aerial Parts ◽  
Mineral Constituents

Aerva javanica (Burm. f) Juss. ex Schult. (Family: Amaranthaceae) family is one of the traditional medicinal plant growing in the United Arab Emirates. Apart from studies related to some medicinal properties, phytochemical, GC MS compound characterization and biological activities still to be investigated. An experiment was conducted to determine the possible bioactive components with their chemical structures and elucidation of phytochemicals from the aerial parts of the plant. The macro and micro-mineral constituents and antioxidant activities were also evaluated. Aerial parts of A. javanica were extracted sequentially with hexane, chloroform, ethyl acetate, acetone, methanol by cold percolation method. Free radical scavenging and antioxidant properties of methanolic extract were evaluated by using in vitro antioxidant assays such as hydroxyl radical scavenging activity, 1,1-diphenyl-2-picrylhydrazyl (DPPH) radicals, superoxide radical scavenging activity and ABTS radical scavenging activity. Primary phytochemical and micro-macro element was tested using standard protocol. The chemical characterization was done with the help of Gas Chromatography-Mass Spectrometry (GC–MS), and the mass spectra of the total compounds in the extract were matched with the National Institute of Standard and Technology (NIST) library. Mineral constituents were identified and estimated by ICP-OES. Ninety-nine metabolites were obtained by GC-MS anslysis; indole was found to be major components followed by 2-Chlorallyl diethyldithiocarbamate (CDEC), Carbaril, Bis(2-ethylhexyl) phthalate, Quinoline, 4H-Cyclopenta[def]phenanthrene,2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide, Phenobarbital, 1H-Indole, 2-methyl-, 2,3,7,8-Tetrachlorodibenzo-p-dioxin Disulfide, diphenyl. The presence of various bioactive compounds in the extract validates the traditional medicinal uses of this plant.

scholarly journals Effects of solvent extraction system on antioxidant activity of Lamium purpureum L.

2017 ◽  
Vol 71 (5) ◽  
pp. 361-370
Author(s):  
Slavica Grujic ◽  
Ana Dzamic ◽  
Violeta Mitic ◽  
Vesna Stankov-Jovanovic ◽  
P.D. Marin ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Methanol Extract ◽  
Phenolic Content ◽  
Radical Scavenging Activity ◽  
Antioxidant Properties ◽  
Radical Scavenging ◽  
Reducing Power ◽  
Total Phenolic ◽  
Radical Scavenger ◽  
Scavenging Activity

Antioxidant and free radical scavenging activity of methanol, ethanol, ethyl acetate and chloroform extracts of aerial parts of Lamium purpureum L. was determined by DPPH, ABTS, FRAP and TRP assays. Contents of flavonoids and phenols were also investigated. The total phenolic content in the extracts, determined using Folin?Ciocalteu assay, ranged between 8.57 to 128.00 mg GAE/g d.e. while concentrations of flavonoids in the extracts varied from 24.20 to 39.80 mg QuE/g d.e. The highest phenolic content was found in methanol extract (128.00 mg GAE/g d.e.). The highest content of total flavonoids was identified in the methanol extract (39.80 mg QuE/g d.e.) and the lowest was in the chloroform (24.30 mg QuE/g d.e.). DPPH scavenging of the extracts was determined and obtained IC50 values ranged from 0.12 to 3.12 mg/mL of solution. The values of ABTS radical scavenging activity ranged from 0.35 to 1.80 mg AA/g. The highest ABTS antiradical activity was registered for methanol extract. The FRAP value was found within the range 0.08 to 1.04 ?mol Fe/mg. The best radical scavenger was methanol (1.04 ?mol Fe/mg). In reducing power assay different extracts of L. purpureum showed increasing of activity with increased concentration, and all extracts possessed substantial dose dependent antioxidant activity. The best reducing capacity was obtained with methanol extract of L. purpureum (0.0132 mg AA/mL). The results in this study confirmed that L. purpureum possesses moderate antioxidant properties.

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