Antiproliferative, genotoxic activities and quantification of extracts and cucurbitacin B obtained from Luffa operculata (L.) Cogn

Galucio, Natasha Costa da Rocha; Moysés, Daniele de Araújo; Pina, Jeferson Rodrigo Souza; Marinho, Patrícia Santana Barbosa; Júnior, Paulo Cardoso Gomes; Cruz, Jorddy Neves; Vale, Valdicley Vieira; Khayat, André Salim; Marinho, Andrey Moacir do Rosário

doi:10.1016/j.arabjc.2021.103589

Cited by 47 publications

(26 citation statements)

References 57 publications

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“…Natural products have a high level of efficacy in use and application, constituting the main ally in the preparation and development of new treatments for cancer [86,87]. In this industry, the essential oils from botanical species of the Amazon region have shown favorable cytotoxic activity and applications, as reported in prior studies [38,88,89], in which the essential oils of two species of Eugenia (E. cuspidifolia and E. tapacumensis) collected in the forest reserve Adolfo Ducke, Manaus, Amazonas, Brazil, were assessed against five types of cancer cells: human malignant melanoma (SK-MEL-19), human colorectal carcinoma (HCT116), human breast adenocarcinoma (MCF7), human gastric adenocarcinoma (ACP02), and human embryonic lung (MRC-5 as a non-malignant cell line). The inhibitory activity of the essential oil of E. cuspidifolia (EO1) was demonstrated by the IC 50 values of 18.11 µg mL −1 (MCF7), 15.25 µg mL −1 (HCT116), 26.17 µg mL −1 (SK-MEL-19), >50 µg mL −1 (ACP02), and 25.51 µg mL −1 (MRC-5).…”

Section: Cytoxicitymentioning

confidence: 99%

Essential Oil of the Plants Growing in the Brazilian Amazon: Chemical Composition, Antioxidants, and Biological Applications

et al. 2022

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Essential oils are biosynthesized in the secondary metabolism of plants, and in their chemical composition, they can be identified different classes of compounds with potential antioxidant and biological applications. Over the years in the Amazon, several species of aromatic plants were discovered and used in traditional medicine. The literature has shown that essential oils extracted from amazon species have several biological activities, such as antioxidant, antibacterial, antifungal, cytotoxic, and antiprotozoal activities. These activities are related to the diversified chemical composition found in essential oils that, by synergism, favors its pharmacological action. In light of this vital importance, this study aimed at performing a review of the literature with particular emphasis on the chemical composition and biological activities in studies conducted with species collected in the Amazon, taking into consideration in particular the last 10 years of collection and research.

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Section: Cytoxicitymentioning

confidence: 99%

Essential Oil of the Plants Growing in the Brazilian Amazon: Chemical Composition, Antioxidants, and Biological Applications

et al. 2022

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“…Molecular modeling approaches have been used to investigate how natural compounds interact with molecular targets of pharmacological interest [ 75 , 76 , 77 , 78 ]. One of the tools used has been molecular docking, which can provide insights into how these compounds interact with the binding pocket of proteins.…”

Section: Resultsmentioning

confidence: 99%

Phytochemical Profile, Antioxidant Potential and Toxicity Evaluation of the Essential Oils from Duguetia and Xylopia Species (Annonaceae) from the Brazilian Amazon

et al. 2022

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The essential oils (EOs) of Duguetia echinophora, D. riparia, Xylopia emarginata and X. frutescens (Annonaceae) were obtained by hydrodistillation and the chemical composition was analyzed by GC-MS. An antioxidant assay using the ABTS and DPPH radicals scavenging method and cytotoxic assays against Artemia salina were also performed. We evaluated the interaction of the major compounds of the most toxic EO (X. emarginata) with the binding pocket of the enzyme Acetylcholinesterase, a molecular target related to toxicity in models of Artemia salina. The chemical composition of the EO of D. echinophora was characterized by β-phellandrene (39.12%), sabinene (17.08%) and terpinolene (11.17%). Spathulenol (22.22%), caryophyllene oxide (12.21%), humulene epoxide II (11.86%) and allo-aromadendrene epoxide (10.20%) were the major constituents of the EO from D. riparia. Spathulenol (5.65%) and caryophyllene oxide (5.63%) were the major compounds of the EO from X. emarginata. The EO of X. frutescens was characterized by α-pinene (20.84%) and byciclogermacrene (7.85%). The results of the radical scavenger DPPH assays ranged from 15.87 to 69.38% and the highest percentage of inhibition was observed for the EO of X. emarginata, while for ABTS radical scavenging, the antioxidant capacity of EOs varied from 14.61 to 63.67%, and the highest percentage of inhibition was observed for the EO of X. frutescens. The EOs obtained from D. echinophora, X. emarginata and X. frutescens showed high toxicity, while the EO of D. riparia was non-toxic. Because the EO of X. emarginata is the most toxic, we evaluated how its major constituents were able to interact with the Acetylcholinesterase enzyme. The docking results show that the compounds are able to bind to the binding pocket through non-covalent interactions with the residues of the binding pocket. The species X. emarginata and X. frutescens are the most promising sources of antioxidant compounds; in addition, the results obtained for preliminary cytotoxicity of the EOs of these species may also indicate a potential biological activity.

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“…In this study, we used molecular modeling approaches to further analyze the investigations performed by Silva et al We decided to conduct these investigations in silico to deepen our understanding of the interactions of volatile compounds with molecular targets that are vital for the viability of these microorganisms. Previous publications have shown that these approaches successfully reveal how drug-receptor interactions occur [ 19 , 20 , 21 , 22 ]. Therefore, we used molecular docking, molecular dynamics (MD) simulations, and affinity energy calculations to investigate how thymol ( Figure 1 )—the major compound of the EO from L. thymoides —interacts with the molecular targets from C. albicans , S. aureus , and E. coli .…”

Section: Introductionmentioning

confidence: 99%

In Silico Evaluation of the Antimicrobial Activity of Thymol—Major Compounds in the Essential Oil of Lippia thymoides Mart. & Schauer (Verbenaceae)

et al. 2022

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In this paper, we evaluated the drug-receptor interactions responsible for the antimicrobial activity of thymol, the major compound present in the essential oil (EO) of Lippia thymoides (L. thymoides) Mart. & Schauer (Verbenaceae). It was previously reported that this EO exhibits antimicrobial activity against Candida albicans (C. albicans), Staphylococcus aureus (S. aureus), and Escherichia coli (E. coli). Therefore, we used molecular docking, molecular dynamics simulations, and free energy calculations to investigate the interaction of thymol with pharmacological receptors of interest to combat these pathogens. We found that thymol interacted favorably with the active sites of the microorganisms’ molecular targets. MolDock Score results for systems formed with CYP51 (C. albicans), Dihydrofolate reductase (S. aureus), and Dihydropteroate synthase (E. coli) were −77.85, −67.53, and −60.88, respectively. Throughout the duration of the MD simulations, thymol continued interacting with the binding pocket of the molecular target of each microorganism. The van der Waals (ΔEvdW = −24.88, −26.44, −21.71 kcal/mol, respectively) and electrostatic interaction energies (ΔEele = −3.94, −11.07, −12.43 kcal/mol, respectively) and the nonpolar solvation energies (ΔGNP = −3.37, −3.25, −2.93 kcal/mol, respectively) were mainly responsible for the formation of complexes with CYP51 (C. albicans), Dihydrofolate reductase (S. aureus), and Dihydropteroate synthase (E. coli).

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Antiproliferative, genotoxic activities and quantification of extracts and cucurbitacin B obtained from Luffa operculata (L.) Cogn

Cited by 47 publications

References 57 publications

Essential Oil of the Plants Growing in the Brazilian Amazon: Chemical Composition, Antioxidants, and Biological Applications

Essential Oil of the Plants Growing in the Brazilian Amazon: Chemical Composition, Antioxidants, and Biological Applications

Phytochemical Profile, Antioxidant Potential and Toxicity Evaluation of the Essential Oils from Duguetia and Xylopia Species (Annonaceae) from the Brazilian Amazon

In Silico Evaluation of the Antimicrobial Activity of Thymol—Major Compounds in the Essential Oil of Lippia thymoides Mart. & Schauer (Verbenaceae)

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