•Quercetin and its derivatives are potential flavonols with several biological effects.•In silico and in vitro screening shows quercetin derivatives as potential anti-influenza targets.•Quercetin ...derivatives targeted cap-binding site of PB2 of influenza viral RNA polymerase.•Quercetin 3′-glucuronide was found as a strong candidate inhibiting the influenza virus.
Quercetin, a potential polyphenolic which possesses several biological effects. The influenza virus polymerase basic 2 (PB2) subunit of RNA polymerase responsible for replication, degree of virus conservation and active target site for designing specific antivirals. The quercetin derivatives downloaded from PubChem were screened using PyRX software configured with Vina Wizard, targeted on cap-binding site of the PB2 of influenza viral RNA polymerase. Among the PubChem library (total 97,585,747 compounds), 410 quercetin derivatives were screened using molecular docking (affinity: <−9.0 kcal) for their drug-likeness and in vitro cytopathic effect by Sulforhodamine B (SRB) assay. Among all quercetin derivatives, quercetin 3′-glucuronide (Q3G) showed strongest binding affinity towards cap-binding site of the PB2 subunit with −9.6 kcal of binding affinity and 0.00054 mM of Ki value, while quercetin 3′-glucuronide (Q7G) was presented highest anti-influenza activity with 2.10 ± 0.05 of IC50 on influenza A/PR/8/34 virus and non-cytotoxic effect as CC50 > 100 µg/mL.
Coronaviruses (CoVs) are a large family of viruses responsible for the severe pathophysiological effects on human health. The most severe outbreak includes Severe Acute Respiratory Syndrome ...(SARS-CoV), Middle East Respiratory Syndrome (MERS-CoV) and Coronavirus disease 2019 (COVID-19) caused by Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2). The COVID-19 poses major challenges to clinical management because no specific FDA-approved therapy yet to be available. Thus, the existing therapies are being used for the treatment of COVID-19, which are under clinical trials and compassionate use, based on in vitro and in silico studies. In this review, we summarize the potential therapies utilizing small molecules, bioactive compounds, nucleoside and nucleotide analogs, peptides, antibodies, natural products, and synthetic compounds targeting the complex molecular signaling network involved in COVID-19. In this review＞230 natural and chemically synthesized drug therapies are described with their recent advances in research and development being done in terms of their chemical, structural and functional properties. This review focuses on possible targets for viral cells, viral proteins, viral replication, and different molecular pathways for the discovery of novel viral- and host-based therapeutic targets against SARS-CoV-2.
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•Reproposed potential drugs therapies against COVID-19 and related coronaviruses.•Hundreds of natural and chemically synthesized drug therapies were discussed.•Possible targets like viral cells, proteins and replication considered as therapeutic targets.•SARS-COV-2 genomic details and prefusion conformation were described for drug development.
•Red onion solid waste (ROSW) utilized for extraction and analysis of value added bioactives.•Chromatographic and spectroscopic analysis showed high content of quercetin and spiraeoside in ...ROSW.•Significant free radical scavenging activity displayed by extracted flavonoid glycosides from ROSW.•Potent cytotoxic effects observed for flavonoid glycosides against human cancer cell lines.•Flavonoid glycosides exhibited good in vitro and in silico enzyme inhibitory effects.
Flavonol glucosides was extracted from red onion solid waste (ROSW) and multi-functional properties were determined to develop alternative strategy for therapeutic beneficiation and utilisation as functional food. The major flavonol glucosides extracted from ROSW were confirmed as quercetin-3, 4′-O-diglucoside (QDG), quercetin-3-O-glucoside (isoquercetin), quercetin-4′-O-glucoside (spiraeoside), isorhamnetin- 4′-glucoside (IMG), quercetin glycoside (QG), and quercetin (Q) using a combination of chromatographic, spectroscopic and scientific literature data. The ROSW solvent fractions and extracted flavonol glucosides showed significant antioxidant effect with DPPH, ABTS, FRAP, and ORAC radical scavenging assays. The in vitro and in silico study revealed that the QG, QDG, isoquercetin, and spiraeoside from ROSW exhibited potent α-glucosidase, tyrosinase and xanthine oxidase enzyme inhibitory activity. In addition, QG, QDG, isoquercetin, and spiraeoside showed potent anticancer effect on HeLa cancer lines. Considering these results, the utilization of ROSW and their flavonol glucosides might be helpful for developing potential antioxidant, anticancer and enzyme inhibitory agents.
Subcritical water extraction (SWE) applied to analyses the bioactives from ashwagandha (W. somnifera) at varying temperature (100–200 °C) and extraction time (10–30 min). The effect of temperature ...and time has been investigated in terms of extraction yield (EY), total phenolic content (TPC), cytotoxicity, antioxidant, and enzyme inhibitory activities. The withanosides and withanolides responsible for various biological effects were quantified using high performance liquid chromatography (HPLC). The HPLC analysis revealed Withanoside V, Withanoside IV, 12-Deoxywithastramonolide, Withanolide A, and Withaferin A as a principle bioactive compounds in SWE, with high in concentration compared to microwave-assisted extraction (MAE), Soxhlet extraction (SE) and maceration (MC). For SWE the highest EY (65.6%; 200 °C for 30 min), TPC (82.5 mg GAE/g DE), antioxidant activity (DPPH: 80.3%, FRAP: 60.5% and ABTS: 78.9), and potent enzyme inhibitory effects were observed. The SWE and Withaferin A showed significant reduction in cell viability of cervical cancer (HeLa) cells, with IC50 values 10 mg/ml and 8.5 μM/ml, respectively but no cytotoxic effect for normal cells (MDCK). Thus, SWE can provide effective extraction for ashwagandha withanosides and withanolides compared MAE, SE and MC to conventional methods, which could be used for extraction of pharmacologically active fractions with therapeutic applications.
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•Subcritical water extraction of bioactives from Indian ginseng were investigated.•The withanosides, withanolides and steroidal lactone were extracted with SWE.•The highest extraction yield and antioxidant activity observed at 200 °C for 30 min.•SWE showed marked higher extraction yields for phenolics and withanosides.•Subcritical water extracts showed potent anticancer and enzyme inhibitory effect.
Investigation of antiviral and cytotoxic effect of quercetin 3-glucoside (Q3G) from Dianthus superbus L over influenza virus infection and replication were studied. Moreover, anti-influenza mechanism ...was screened by time-dependent antiviral assay, virus-induced symptoms and related gene expressions. The blockade of cap-binding domain of polymerase basic protein subunit were analysed by molecular docking study. The Q3G demonstrated potent antiviral activity showing 4.93, 6.43, 9.94, 8.3, and 7.1 μg/mL of IC50 for A/PR/8/34, A/Victoria/3/75, A/WS/33, B/Maryland/1/59, and B/Lee/40, respectively. The cellular toxicity of Q3G and oseltamivir (control) were tested and >100 μg/mL of CC50 value considered as nontoxic. Influenza A virus infection induced a higher ROS production, however potentially reduced by Q3G treatment and significantly blocked virus infection induced acidic vesicular organelles (AVO). Moreover, Q3G has no inhibitory effect for neuraminidase activity but blocked virus replication through time dependent assay and showed more competitive binding affinity (−8.0 kcal/mal) than GTP (−7.0 kcal/mol) to block polymerase basic protein-2 subunit of influenza virus. Q3G from D. superbus showed potent antiviral activity against influenza A and B viruses with suppressive effect on virus-induced cellular ROS generation and AVO formation. Thus, this study provided a new line of research for Q3G to develop possible natural anti-influenza drug.
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•Quercetin 3-glucoside isolated from Dianthus superbus L.•The quercetin 3-glucoside revealed significant antiviral and cytotoxic effect.•In silico the Q3G occupies the pocket of GTP on PB2 and inhibiting influenza infection.•In vitro and in-silico result reveals Q3G as a natural anti-influenza drug.
Onion (Allium cepa L.) is rich with flavonols which perceived benefits to human health. Flavonols like quercetin and quercetin glycosides from onion solid waste (OSW) have been extracted and tested ...against enzymes of clinical importance in Alzheimer's disease and diabetes and be shown to have cytotoxic and antioxidant effects. A simple high-performance liquid chromatography-diode array detector method using a Zorbax Eclipse XDB C18 column was developed to separate quercetin-3, 4′-O-diglucoside, quercetin-4′-O-monoglucoside, and quercetin from OSW. These compounds were identified using infrared, ultra-violet, 1H, and 13C nuclear magnetic resonance spectroscopic techniques. The OSW solvent fractions and flavonols showed significant antioxidant activities using DPPH (1, 1-diphenyl-2-picrylhydrazyl), FRAP (ferric reducing antioxidant power), and ABTS (2,2′-azino-bis-3-ethylbenzthiazoline-6-sulphonic acid) radical scavenging assays. The samples exhibited significant in vitro anti-cholinesterase activity with strong antidiabetic effects. OSW extracted with methanol and ethanol showed greater in vitro anti-cholinesterase and hypoglycemic effects than QDG, QMG, and Q possibly due to interactions between multiple compounds and/or complex multivariate interactions with other factors in OSW. In addition, cytotoxicity assays showed that OSW and QDG, QMG, and Q could inhibit the proliferation of selected cancer cell lines. Results indicate that OSW and flavonol glycosides are potential antioxidant, antidiabetic, anticancer, and sedative agents.
Metabolic variations, antioxidant potential and cytotoxic effects were investigated in the different plant parts like the leaf, stem, flower, pod, and root of C. majus L. using spectroscopic and ...chromatographic methods. Total phenolics and flavonoids were studied in the different parts of C. majus L., leaf showed higher flavonoid content (137.43 mg/g), while the pod showed the highest phenolic (23.67 mg/g) content, when compared with the stem, flower and root. In the ABTS antioxidant assay, the flower extract showed 57.94% effect, while the leaf, pod and root extract exhibited 39.10%, 36.08% and 28.88% activity, respectively. The pod and leaf extracts demonstrated the potential effect, exhibiting 45.46 and 41.61% activity, respectively, for the DPPH assay. Similar to the phosphomolybdenum assay, the flower revealed higher antioxidant activity (46.82%) than the other plant parts. The in vitro SRB assay facilitated evaluation of the cytotoxic effect against the HeLa and CaSki human cervical cancerous cells. The extract displayed dose-dependent inhibitory effect on both the cell lines. The highest cytotoxic effect was observed in the pod and flower extracts post 48 h of exposure at 1000 μg/mL. The results of C. majus L. offered new insights in the preliminary steps regarding the development of a high value product for phytomedicine applications though promising metabolic variations with antioxidant and anticancer potentials.
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•Greater celandine bioactive metabolites in different parts were comparatively analyzed.•Pod and flower extract showed promising anticancer effect on HeLa and Caski cell lines.•This plant used as phytomedicine with promising antioxidant and anticancer potential.
Red onion skin waste (ROSW) was analyzed for extraction of naturally occurring 4′-O-glucoside of quercetin, spiraeoside (SPI) with promising biological activities. Reversed-phase high-performance ...liquid chromatography was used to determine the SPI content in three different solvent extracts of ROSW: water (12.2 mg/g), methanol (27.6 mg/g), and ethanol (32.5 mg/g). The ethanol extract and SPI showed significant radical-scavenging and anti-inflammatory activities. In addition, the anti-cancer effects of SPI on a HeLa cells was investigated. The results indicated that SPI treatment significantly inhibited cell growth, and the dose of 50 μg/mL exhibited the highest anti-cancer activity. SPI inhibited the expression of B-cell lymphoma 2 and BH3-interacting domain-death agonist and promoted apoptosis by activating caspase-9/-3 expression. Notably, SPI inhibited the expression of mu-2-related death-inducing gene, a molecule involved in death receptor-mediated apoptotic signaling. Cyclin-dependent kinase 2-cyclin-E expression was also inhibited after SPI treatment, particularly at the G2/M checkpoint. Our findings provide novel insights into the apoptotic potential with promising anticancer and enzyme inhibitory effects of ROSW SPI.
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•Spiraeoside is a naturally occurring quercetin glucoside extracted from red onion skin.•Red onion skin and spiraeoside showed potential antioxidant and anti-inflammatory effects.•Red onion skin spiraeoside showed promising anti-cancer effect against HeLa cell.•Spiraeoside provided novel insights on apoptotic potential and enzyme inhibitory effects.
The farmers and agrochemical industries lack science-based knowledge about sustainable utilization of pesticides and insecticides. The investigation on rising use of chemical pesticides and ...insecticides has remarkable issue related to environment pollution, soil fertility, and human health; as such, nowadays, many people prefer natural alternatives over synthetic chemicals. Natural products, like horticultural oils, play a significant role for sustainable and safe integrated pest management, providing natural alternatives to chemical pesticides and insecticides. For several decades, both plant- and petroleum-based spray oils have been always used to control various pests, mites, and insects. Currently, these horticultural oils are used as a part of the integrated pest management, which utilizes secure and non-chemical pesticides rather than conventional pesticides. Horticultural oil refers to a complex mixture of hydro-carbons with traces of sulfur- and nitrogen-based compounds, extracted from plants. The key components of horticultural oils include paraffin and olefin. The horticultural oils are considered suitable since they are non-toxic to both plants and animals, are applied easily, have low risk properties, cost-effective, and play significant role in pest control, but show little effects on the beneficial insects. As a result, these attributes make horticultural oils to be considered as secure and effective alternative for chemical insecticides and pesticides for both commercial and domestic agriculture.
Dianthus superbus (DS) is a traditional medicinal herb well known for its medicinal and therapeutic potential and widely distributed in various Asian countries. The ethyl acetate (EA), butanol (Bu) ...and distilled water (DW) extracts of DS assessed for extraction of bioactive compounds and their biological activities. The chemical analysis was done using LC-MS/MS and antioxidant, anticancer and antiviral activities were determined. EA extracts showed strong anticancer activity with IC50 of 9.5, 13.8 and 69.9 μg/mL on SKOV, NCL-H1299 and Caski cancer cell lines, respectively. The Bu extracts exhibited strongest antiviral activity with respect to both influenza A and B viruses with IC50 values of 4.97 and 3.9 μg/mL, respectively. Also the metabolic profile for EA, Bu and DW extracts shows high variations and influence precisely the antioxidant, anticancer and antiviral properties. The quercetin 3- rutinoside and isorhamnetin 3- glucoside showed higher neuraminidase inhibition activity in dose dependent manner. Molecular docking study revealed that flavonol glycosides have higher binding activities towards influenza polymerase membrane glycoprotein. Correlation study showed that flavonol glycosides were linked to anti-influenza activity and cyclic peptides with anticancer activities. This study provides vital information for effective utilization of DS for medicinal, food and therapeutic purposes.
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•Utilization of Dianthus superbus for extraction and analysis of value-added products.•LC-MS/MS analysis showed flavonol glycosides and cyclic peptides composition.•The extracts and compounds revealed significant antiviral and anticancer effect.•Utilised for designing of novel nutraceuticals and functional agents.•Potential of the extracts in food, cosmetic and pharmaceutical industry.
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