Brazilian essential oils as source for the discovery of new anti-COVID-19 drug: a review guided by in silico study

Amparo, Tatiane Roquete; Seibert, Janaína Brandão; Silveira, Benila Maria; Costa, Fernanda Senna Ferreira; Almeida, Tamires Cunha; Braga, Saulo Fehelberg Pinto; Silva, Glenda Nicioli da; Santos, Orlando David Henrique dos; Souza, Gustavo Henrique Bianco de

doi:10.1007/s11101-021-09754-4

Cited by 18 publications

(7 citation statements)

References 145 publications

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“…Caryophyllene oxide has been reported to exhibit very potent inhibitory activity against HSV-I which might be a prime lead for development of topical therapeutic agent to treat recurrent infection caused by HSV-I ( Astani et al, 2011 ). Moreover, an in silico study demonstrated that humulene epoxide has remarkable binding affinity to four target proteins, such as spike glycoprotein, papain-like protease (PLpro), 3-chymotrypsin-like protease (3CLpro), and RNA-dependent RNA polymerase (RdRp) which are crucial for regulation of lifecycle of SARS-CoV-2 ( Amparo et al, 2021 ).…”

Section: Antiviral Plants Of Bangladeshmentioning

confidence: 99%

“…Inhibitor of S protein, blocker of ACE2 receptor or interferer of S protein-ACE2 receptor interaction might inhibit viral entry to host cell. A number of in silico studies demonstrated that numerous metabolites derived from Bangladeshi medicinal plants including (a) hesperidin, seselin, 6-gingerol, and humulene epoxide interacted with and inhibited S protein of SARS-CoV-2 ( Bellavite and Donzelli, 2020 ; Rathinavel et al, 2020 ; Amparo et al, 2021 ; Nivetha et al, 2021 ); (b) hesperidin, kaemferol, apigenin, luteolin, quercetin, and curcumin inhibited ACE2 receptor ( Goyal et al, 2020 ; Manoharan et al, 2020 ); and (c) hesperidin, seselin, EGCG, curcumin, 6-gingerol, and humulene epoxide interfered with the interaction of S protein-receptor ( Henss et al, 2021 ). These metabolites might be considered for development of potential SARS-CoV-2 entry inhibitors.…”

Section: Mechanistic Insight Of Antiviral Activities Of the Plant Metabolites Derived From Medicinal Plantsmentioning

confidence: 99%

“…After endocytosis, the genomic RNA gets translated to nonfunctional polypeptides which are cleaved to functional proteins via proteolytic activity of Mpro/3CLpro and PLpro enzymes. Anisotine, hesperidin, seselin, feralolide, 6-gingerol, humulene epoxide, catechin, ECG, EGCG, curcumin, quercetin, and kaempferol have been reported for exhibiting inhibition potential for main protease, Mpro/3CLpro enzyme ( Bellavite and Donzelli, 2020 ; Khaerunnisa et al, 2020 ; Mpiana et al, 2020 ; Rathinavel et al, 2020 ; Amparo et al, 2021 ; Ghosh et al, 2021 ; Nivetha et al, 2021 ); whereas 6-gingerol and humulene epoxide inhibited PLpro enzyme ( Rathinavel et al, 2020 ; Amparo et al, 2021 ) resulting inhibition of proteolysis and ending with non-infective nonfunctional proteins. Apart from these, gingeronone A and guaiol inhibited 6LU7 and 7JTL which are crucial for proteolysis mechanism ( Pandey et al, 2021 ).…”

Section: Mechanistic Insight Of Antiviral Activities Of the Plant Metabolites Derived From Medicinal Plantsmentioning

confidence: 99%

“…Apart from these, gingeronone A and guaiol inhibited 6LU7 and 7JTL which are crucial for proteolysis mechanism ( Pandey et al, 2021 ). The next step involves replication of genomic RNA from 16 types of nonstructural proteins (nsp 1-16) regulated by RNA dependent RNA polymerase (RdRp) which was inhibited by hesperidin, luteolin, quercetin, ECG, and humulene epoxide ( Goyal et al, 2020 ; Amparo et al, 2021 ). According to latest researches regarding drug development against SARS-CoV-2 virus, ACE2 receptor blockers as well as RdRp enzyme inhibitors are considered as the most important candidates.…”

Section: Mechanistic Insight Of Antiviral Activities Of the Plant Metabolites Derived From Medicinal Plantsmentioning

confidence: 99%

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A Review of Medicinal Plants with Antiviral Activity Available in Bangladesh and Mechanistic Insight Into Their Bioactive Metabolites on SARS-CoV-2, HIV and HBV

et al. 2021

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Currently, viral infection is the most serious health issue which causing unexpected higher rate of death globally. Many viruses are not yet curable, such as corona virus-2 (SARS-CoV-2), human immunodeficiency virus (HIV), hepatitis virus, human papilloma virus and so others. Furthermore, the toxicities and ineffective responses to resistant strains of synthetic antiviral drugs have reinforced the search of effective and alternative treatment options, such as plant-derived antiviral drug molecules. Therefore, in the present review, an attempt has been taken to summarize the medicinal plants reported for exhibiting antiviral activities available in Bangladesh along with discussing the mechanistic insights into their bioactive components against three most hazardous viruses, namely SARS-CoV-2, HIV, and HBV. The review covers 46 medicinal plants with antiviral activity from 25 families. Among the reported 79 bioactive compounds having antiviral activities isolated from these plants, about 37 of them have been reported for significant activities against varieties of viruses. Hesperidin, apigenin, luteolin, seselin, 6-gingerol, humulene epoxide, quercetin, kaempferol, curcumin, and epigallocatechin-3-gallate (EGCG) have been reported to inhibit multiple molecular targets of SARS-CoV-2 viral replication in a number of in silico investigations. Besides, numerous in silico, in vitro, and in vivo bioassays have been demonstrated that EGCG, anolignan-A, and B, ajoene, curcumin, and oleanolic acid exhibit anti-HIV activity while piperine, ursolic acid, oleanolic acid, (+)-cycloolivil-4′-O-β-d-glucopyranoside, quercetin, EGCG, kaempferol, aloin, apigenin, rosmarinic acid, andrographolide, and hesperidin possess anti-HBV activity. Thus, the antiviral medicinal plants and the isolated bioactive compounds may be considered for further advanced investigations with the aim of the development of effective and affordable antiviral drugs.

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Section: Antiviral Plants Of Bangladeshmentioning

confidence: 99%

Section: Mechanistic Insight Of Antiviral Activities Of the Plant Metabolites Derived From Medicinal Plantsmentioning

confidence: 99%

Section: Mechanistic Insight Of Antiviral Activities Of the Plant Metabolites Derived From Medicinal Plantsmentioning

confidence: 99%

Section: Mechanistic Insight Of Antiviral Activities Of the Plant Metabolites Derived From Medicinal Plantsmentioning

confidence: 99%

See 2 more Smart Citations

A Review of Medicinal Plants with Antiviral Activity Available in Bangladesh and Mechanistic Insight Into Their Bioactive Metabolites on SARS-CoV-2, HIV and HBV

et al. 2021

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“…Recently, during the COVID-19 pandemic, a number of traditional medicinal ingredients were promoted as drugs to prevent or restore the COVID-19 disease, such as 1,8-Cineol essential oil, several other essential oils, and Andrographis paniculata extract [9][10][11]. Considering that M. oleifera leaves are widely consumed as vegetables that have a number of health benefits, an in-silico analysis was conducted to explore the possible interactions of the bioactive compounds contained in M. oleifera leaves and the main protease (Mpro) of the SARS-CoV-2 protein.…”

Section: Introductionmentioning

confidence: 99%

Phytochemical Analysis, Antimutagenic and Antiviral Activity of Moringa oleifera L. Leaf Infusion: In Vitro and In Silico Studies

Rahayu

Timotius

2022

Molecules

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Moringa oleifera (M. oleifera) leaves are rich in nutrients and antioxidant compounds that can be consumed to prevent and overcome malnutrition. The water infusion of its leaf is the easiest way to prepare the herbal drink. So far, no information is available on the antioxidant, antimutagenic, and antivirus capacities of this infusion. This study aimed to determine the composition of the bioactive compounds in M. oleifera leaf infusion, measuring for antioxidant and antimutagenic activity, and evaluating any ability to inhibit the SARS-CoV-2 main protease (Mpro). The first two objectives were carried out in vitro. The third objective was carried out in silico. The phytochemical analysis of M. oleifera leaf infusion was carried out using liquid chromatography-mass spectrometry (LC-MS). Antioxidant activity was measured as a factor of the presence of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH). The antimutagenicity of M. oleifera leaf powder infusion was measured using the plasmid pBR322 (treated free radical). The interaction between bioactive compounds and Mpro of SARS-CoV-2 was analyzed via molecular docking. The totals of phenolic compound and flavonoid compound from M. oleifera leaf infusion were 1.780 ± 5.00 µg gallic acid equivalent/g (µg GAE/g) and 322.91 ± 0.98 µg quercetin equivalent/g (µg QE/g), respectively. The five main bioactive compounds involved in the infusion were detected by LC-MS. Three of these were flavonoid glucosides, namely quercetin 3-O-glucoside, kaempferol 3-O-neohesperidoside, and kaempferol 3-α-L-dirhamnosyl-(1→4)-β-D-glucopyranoside. The other two compounds were undulatoside A, which belongs to chromone-derived flavonoids, and gentiatibetine, which belongs to alkaloids. The antioxidant activity of M. oleifera leaf infusion was IC50 8.19 ± 0.005 µg/mL, which is stronger than the standard butylated hydroxytoluene (BHT) IC50 11.60 ± 0.30 µg/mL. The infusion has an antimutagenic effect and therefore protects against deoxyribonucleic acid (DNA) damage. In silico studies showed that the five main bioactive compounds have an antiviral capacity. There were strong energy bonds between Mpro molecules and gentiatibetine, quercetin, undulatoside A, kaempferol 3-o-neohesperidoside, and quercetin 3-O-glucoside. Their binding energy values are −5.1, −7.5, −7.7, −5.7, and −8.2 kcal/mol, respectively. Their antioxidant activity, ability to maintain DNA integrity, and antimutagenic properties were more potent than the positive controls. It can be concluded that leaf infusion of M. oleifera does provide a promising herbal drink with good antioxidant, antimutagenic, and antivirus capacities.

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Plant Essential Oils and Their Constituents for Therapeutic Benefits

et al. 2023

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Brazilian essential oils as source for the discovery of new anti-COVID-19 drug: a review guided by in silico study

Cited by 18 publications

References 145 publications

A Review of Medicinal Plants with Antiviral Activity Available in Bangladesh and Mechanistic Insight Into Their Bioactive Metabolites on SARS-CoV-2, HIV and HBV

A Review of Medicinal Plants with Antiviral Activity Available in Bangladesh and Mechanistic Insight Into Their Bioactive Metabolites on SARS-CoV-2, HIV and HBV

Phytochemical Analysis, Antimutagenic and Antiviral Activity of Moringa oleifera L. Leaf Infusion: In Vitro and In Silico Studies

Plant Essential Oils and Their Constituents for Therapeutic Benefits

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