Essential Oils from Colombian Plants: Antiviral Potential against Dengue Virus Based on Chemical Composition, In Vitro and In Silico Analyses DOI Creative Commons
Lina Silva-Trujillo, Elizabeth Quintero-Rueda, Elena E. Stashenko

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(20), P. 6844 - 6844

Published: Oct. 12, 2022

Currently, there are no therapies to prevent severe dengue disease. Essential oils (EOs) can serve as primary sources for research and the discovery of phytomedicines alternative therapy. Fourteen EOs samples were obtained by distillation from six plants used in Colombian folk medicine. GC/MS analysis identified 125 terpenes. Cytopathic effect (CPE) reduction assays revealed differences antiviral activity. Lippia alba, citral chemotype carvone-rich fraction; origanoides, phellandrene chemotype; Turnera diffusa, exhibited strong activity (IC50: 29 82 µg/mL; SI: 5.5 14.3). Piper aduncum, Ocimum basilicum, L. carvacrol, thymol chemotypes, weak (32 53% DENV-CPE at 100 SI > 5.0). Cluster one-way ANOVA analyses suggest that could be attributed increased amounts non-phenolic oxygenated monoterpenes sesquiterpene hydrocarbons. Docking (AutoDock Vina) predicted binding affinity between DENV-2 E protein terpenes: twenty hydrocarbons (−8.73 −6.91 kcal/mol), eight (−7.52 −6.98 seven monoterpene (−7.60 −6.99 kcal/mol). This study reports first time against DENV, corresponding their composition sesquiterpenes.

Language: Английский

Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico Study DOI Open Access

Ayesh Madushanka,

Niraj Verma, Marek Freindorf

et al.

International Journal of Molecular Sciences, Journal Year: 2022, Volume and Issue: 23(20), P. 12310 - 12310

Published: Oct. 14, 2022

Dengue fever (DF), dengue hemorrhagic (DHF), and shock syndrome (DSS) cause serious public health problems, with nearly 390 million people affected 20,000 deaths per year in tropical subtropical countries. Despite numerous attempts, no antiviral drug or vaccine is currently available to combat the manifestation. The challenge of discovering an efficient enhanced by surplus presence vectors resistance from virus. For centuries, papaya (Carica papaya) extracts have been traditionally used treat DF, DHF, DSS. In present study, we systematically investigated seven compounds isolated leaf extract regard their potential as inhibitors for non-structural (NS) proteins, NS3 NS5, which play a crucial role viral RNA replication. computational tools applied stretched across classical molecular docking, dynamics (MD) simulations SwissADME calculate binding affinities; free energies; Absorption, Distribution, Metabolism, Excretion (ADME); drug-likeness properties, thus, identifying Kaempferol, Chlorogenic acid, Quercetin candidates, Kaempferol scoring best. Therefore, complexes, hybrid quantum mechanical/molecular mechanical (QM/MM) geometry frequency calculations were performed, followed local mode analysis developed our group quantify Kaempferol-NS Quercetin-NS hydrogen bonding. Given non-toxic nature wide availability almost all susceptible regions, results showing high NS5 affinities energies, strong bonding both excellent ADME suggest inhibitor be further vitro.

Language: Английский

Citations

14
Withaferin A: A potential selective glucocorticoid receptor modulator with anti-inflammatory effect DOI
Yuan Liang, Qiuyan Jiang,

Haoyang Zou

et al.

Food and Chemical Toxicology, Journal Year: 2023, Volume and Issue: 179, P. 113949 - 113949

Published: July 17, 2023

Language: Английский

Citations

8
A Comparative Photographic Review on Higher Plants and Macro-Fungi: A Soil Restoration for Sustainable Production of Food and Energy DOI Open Access
Hassan El-Ramady, Gréta Törős, Khandsuren Badgar

et al.

Sustainability, Journal Year: 2022, Volume and Issue: 14(12), P. 7104 - 7104

Published: June 9, 2022

The Kingdom of Plantae is considered the main source human food, and includes several edible medicinal plants, whereas mushrooms belong to fungi. There are a lot similar characteristics between higher but there also many differences among them, especially from health point view. absences both chlorophyll content ability form their own food plants. attributes found in plants represented nutritional activities. findings this review have number practical implications. A applications different fields could be for bioenergy, biorefinery, soil restoration, pharmaceutical fields, study first report on comparative photographic them. An implication most important that should taken into account when integrated energy needed. These will broad use scientific biomedical communities. Further investigation experimentation integration production crops strongly recommended under environmental conditions, particularly climate change.

Language: Английский

Citations

13
A systematic review on immunity functionalities and nutritional food recommendations to develop immunity against viral infection DOI Creative Commons
Vinay Kumar Pandey, Anjali Tripathi, Shivangi Srivastava

et al.

Applied Food Research, Journal Year: 2023, Volume and Issue: 3(1), P. 100291 - 100291

Published: March 21, 2023

Language: Английский

Citations

7
Essential Oils from Colombian Plants: Antiviral Potential against Dengue Virus Based on Chemical Composition, In Vitro and In Silico Analyses DOI Creative Commons
Lina Silva-Trujillo, Elizabeth Quintero-Rueda, Elena E. Stashenko

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(20), P. 6844 - 6844

Published: Oct. 12, 2022

Currently, there are no therapies to prevent severe dengue disease. Essential oils (EOs) can serve as primary sources for research and the discovery of phytomedicines alternative therapy. Fourteen EOs samples were obtained by distillation from six plants used in Colombian folk medicine. GC/MS analysis identified 125 terpenes. Cytopathic effect (CPE) reduction assays revealed differences antiviral activity. Lippia alba, citral chemotype carvone-rich fraction; origanoides, phellandrene chemotype; Turnera diffusa, exhibited strong activity (IC50: 29 82 µg/mL; SI: 5.5 14.3). Piper aduncum, Ocimum basilicum, L. carvacrol, thymol chemotypes, weak (32 53% DENV-CPE at 100 SI > 5.0). Cluster one-way ANOVA analyses suggest that could be attributed increased amounts non-phenolic oxygenated monoterpenes sesquiterpene hydrocarbons. Docking (AutoDock Vina) predicted binding affinity between DENV-2 E protein terpenes: twenty hydrocarbons (−8.73 −6.91 kcal/mol), eight (−7.52 −6.98 seven monoterpene (−7.60 −6.99 kcal/mol). This study reports first time against DENV, corresponding their composition sesquiterpenes.

Language: Английский

Citations

12