Virtual screening of secondary metabolites of the genus Solanum with potential antimicrobial activity

Barros, Renata Priscila Costa; Cunha, Emídio Vasconcelos Leitão da; Catão, Raïssa Mayer Ramalho; Scotti, Luciana; Souza, Maria Sallett Rocha; Brás, Amanda Amona Queiroz

doi:10.1016/j.bjp.2018.08.003

Cited by 15 publications

(18 citation statements)

References 15 publications

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“…The identified molecules were evaluated in silico, by virtual screening, in order to select the most promising compounds to be tested against the A. aegypti larvae in vitro [19,20,21].…”

Section: Resultsmentioning

confidence: 99%

“…The molecules were subjected to a virtual screening protocol to select those that were most likely to be active against A. aegypti [19,23,24]. The molecules with a greater than 50% probability of being active (14 compounds) were selected by the model.…”

Section: Discussionmentioning

confidence: 99%

“…Our findings showed that the best in silico results were exhibited for flavonoids and steroids. These compounds possess certain characteristics, such as planar and aromatic rings, sulphate groups, and sugars, which may be crucial to their biological activities [19].…”

Section: Discussionmentioning

confidence: 99%

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Larvicidal Compounds Extracted from Helicteres velutina K. Schum (Sterculiaceae) Evaluated against Aedes aegypti L.

et al. 2019

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Helicteres velutina K. Schum (Sterculiaceae), a member of Malvaceae sensu lato, is a Brazilian endemic plant that has been used by the indigenous tribe Pankarare as an insect repellent. A previous study has reported the isolation of terpenoids, flavonoids and pheophytins, in addition to the larvicidal activity of crude H. velutina extracts derived from the aerial components (leaves, branches/twigs, and flowers). The present study reports the biomonitoring of the effects of fractions and isolated compounds derived from H. velutina against A. aegypti fourth instar larvae. A crude ethanol extract was submitted to liquid–liquid extraction with hexane, dichloromethane, ethyl acetate and n-butanol to obtain their respective fractions. Larvicidal evaluations of the fractions were performed, and the hexane and dichloromethane fractions exhibited greater activities than the other fractions, with LC50 (50% lethal concentration) values of 3.88 and 5.80 mg/mL, respectively. The phytochemical study of these fractions resulted in the isolation and identification of 17 compounds. The molecules were subjected to a virtual screening protocol, and five molecules presented potential larvicidal activity after analyses of their applicability domains. When molecular docking was analysed, only three of these compounds showed an ability to bind with sterol carrier protein-2 (1PZ4), a protein found in the larval intestine. The compounds tiliroside and 7,4′-di-O-methyl-8-O-sulphate flavone showed in vitro larvicidal activity, with LC50 values of 0.275 mg/mL after 72 h and 0.182 mg/mL after 24 h of exposure, respectively. This is the first study to demonstrate the larvicidal activity of sulphated flavonoids against A. aegypti. Our results showed that the presence of the OSO3H group attached to C-8 of the flavonoid was crucial to the larvicidal activity. This research supports the traditional use of H. velutina as an alternative insecticide for the control of A. aegypti, which is a vector for severe arboviruses, such as dengue and chikungunya.

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“…The identified molecules were evaluated in silico, by virtual screening, in order to select the most promising compounds to be tested against the A. aegypti larvae in vitro [19,20,21].…”

Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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Larvicidal Compounds Extracted from Helicteres velutina K. Schum (Sterculiaceae) Evaluated against Aedes aegypti L.

et al. 2019

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“…[7][8][9] The Solanum genus has secondary metabolites of therapeutic interest like steroids, free or glycosylated alkaloids, polyphenols, flavonoids, which have multiple pharmacological activities, such as analgesic, cytotoxic, anticancer, antiinflammatory, and antimicrobial activities. [10][11][12][13][14] Solanum tuberosum L. (S. tuberosum) "potato" is the third most consumed food crop in the world, mainly in Asia, Africa, and Latin America. 15 S. tuberosum is an important source of phenolic compounds such as chlorogenic acid and gallic acid, besides, it has flavonoids principally in its peel, these phytoconstituents exert antioxidant, analgesic, antiinflammatory activities.…”

Section: Introductionmentioning

confidence: 99%

Wound Healing Activity of an Ointment from Solanum tuberosum L. "Tumbay Yellow Potato" on Mus musculus Balb/c

Rosas-Cruz¹,

Silva-Correa²,

Calderón-Peña³

et al. 2020

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This study has the purpose to evaluate the effect of an ointment made from the ethanolic extract of S. tuberosum L. var. "Tumbay yellow potato" on skin induced wounds of Mus musculus Balb/c. MATERIALS AND METHODS Biological material Mus musculus Balb/c (30-35 g) males, 12-14 weeks old, obtained from the Instituto Nacional de Salud (INS), were used for this investigation. All mice were kept in individual cages and standard photoperiod environmental conditions (12:12 dark: light cycle) ABSTRACT Background: Solanum tuberosum L. is an Andean tuber that is mainly characterized by its antioxidant properties. Objective: To evaluate the healing activity of an S. tuberosum-based ointment on wounds induced in mice. Material and methods: Ethanolic extracts of peel and pulp of tubers of S. tuberosum "Tumbay yellow potato" were prepared, which were incorporated into 1% and 2% ointment formulations. Mus musculus Balb/c with induced wound were distributed in the following working groups: Group I (Negative Control), Group II (Positive Control: Neomycin, Polymyxin B and Bacitracin Ointment) and Groups III and IV (Ointment at 1 % and 2% of S. tuberosum extract, respectively), daily administration of topical treatments were carried out for 07 days. Wound closure was determined during the experimentation time, then euthanized with sodium pentobarbital 60 mg/kg b.w. (i.p.) to obtain skin samples for histopathological analysis. Results: Groups III and IV showed that better evidence of wound closure and scarring in the histopathological analysis, the greatest effect being in Group IV. Conclusions: S. tuberosum ointments show healing activity in induced wounds in mice, the most effective treatment being the 2% ointment formulation.

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“…El género Solanum es uno de los más grandes de la familia de las Solanaceae, posee alrededor de 1700 especies distribuidas en todo el mundo (Siddiqui et al;. Este género presenta gran riqueza y diversidad de propiedades farmacológicas; entre ellas, actividad citotóxica, anticancerígena, antiinflamatoria, antiulcerogénica, antimicrobiana y antioxidante (Costa et al;2018). Algunos reportes indican que S. mammosum es una fuente principal de Solasodina, un alcaloide conocido por sus efectos diuréticos, anticancerígenos, antifúngicos, cardiotónicos, antiespermatogenéticos, antiandrogénicos, inmunomoduladores y antipiréticos en el sistema nervioso central (Patel et al, 2013).…”

Section: Introductionunclassified

Actividad antioxidante y antimicrobiana de extractos metanólicos de hojas de plantas del género Solanum

Ramón-Valderrama

Galeano-García

2020

Inf. tecnol.

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En esta investigación se evaluó la actividad antioxidante y antimicrobiana de los extractos metanólicos de diez especies del género Solanum. A través de modelos in vitro se determinó la actividad antioxidante, el contenido de fenoles y flavonoides totales. La presencia de fenoles totales se evaluó por cromatografía líquida de alta resolución y la actividad antimicrobiana se evaluó usando los microorganismos Klebsiella pneumoniae, Staphylococcus aureus y Escherichia coli. Los resultados mostraron variaciones en el contenido de fenoles totales (54 a 286 mg eq. Ac gálico/g) y flavonoides totales (18 a 73 mg eq. quercetina/g). Se evidenció variaciones en actividad antiradical DPPH (0,01 a 5,2 μmol eq. Trolox/100 g), ABTS •+ (0,03 a 2,01 μmol eq. Trolox/100 g) y reductora FRAP (202 a 887 μmol eq. Ac. ascórbico/g). Los extractos S. mammosum y S. barbeyanum presentaron actividad antimicrobiana frente a Escherichia coli. Se concluye que el extracto S. mammosum es una fuente principal de compuestos bioactivos.

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Virtual screening of secondary metabolites of the genus Solanum with potential antimicrobial activity

Cited by 15 publications

References 15 publications

Larvicidal Compounds Extracted from Helicteres velutina K. Schum (Sterculiaceae) Evaluated against Aedes aegypti L.

Larvicidal Compounds Extracted from Helicteres velutina K. Schum (Sterculiaceae) Evaluated against Aedes aegypti L.

Wound Healing Activity of an Ointment from Solanum tuberosum L. "Tumbay Yellow Potato" on Mus musculus Balb/c

Actividad antioxidante y antimicrobiana de extractos metanólicos de hojas de plantas del género Solanum

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