ArticleScientific reports2024
Molecular docking of bioactive compounds extracted and purified from selected medicinal plant species against covid-19 proteins and in vitro evaluation.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed, 19 citations in OpenAlex.
- Integrated in Vitro and in Silico Investigation of Antimicrobial, Anti-biofilm, and Quorum-Sensing Inhibitory Activities of Allium atroviolaceum Bulb Extract.Applied biochemistry and biotechnology · 2026Article
- Biosynthesis of Silver Nanoparticles fromBiology · 2026Article
- Natural variation in antimicrobial activity and composition of the secreted metabolomes of the model moss Ceratodon purpureus.Scientific reports · 2026Article
- Tiliroside From Pavonia malacophylla (Link & Otto) Garcke as an Anti-SARS-CoV-2 Cell Entry Agent.Chemistry & biodiversity · 2026Article
- Natural products and dietary bioactives as antiviral agents against herpesviruses: molecular mechanisms, immunomodulatory actions, and nutritional perspectives.Archives of microbiology · 2026Review
- Anticancer potential of Dendrocnide meyeniana through phytochemical profiling, ADMET analysis, molecular docking, and in silico cytotoxicity evaluation.Scientific reports · 2025Article
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Authors and funding
8 authors at 6 institutions in 3 countries.
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Abstract
Bioactive compounds are secondary metabolites of plants. They offer diverse pharmacological properties. Peganum harmala is reported to have pharmaceutical effects like insecticidal, antitumor, curing malaria, anti-spasmodic, vasorelaxant, antihistaminic effect. Rosa brunonii has medicinal importance in its flower and fruits effective against different diseases and juice of leaf is reported to be applied externally to cure wounds and cuts. Dryopteris ramosa aqueous leaf extract is used to treat stomach ulcers and stomachaches. Each of these three medicinal plants have been indicated to have anticancer, antiviral, antioxidant, cytotoxic and antifungal effects but efficacy of their bioactive compounds remained unexplored. Study was aimed to explore In-vitro and In-silico anticancer, antiviral, antioxidant, cytotoxic and antifungal effects of bioactive compounds of above three medicinal plants. DPPH and ABTS assay were applied for assessment of antioxidant properties of compounds. Antibacterial properties of compounds were checked by agar well diffusion method. Brine shrimp lethality assay was performed to check cytotoxic effect of compounds. Molecular docking was conducted to investigate the binding efficacy between isolated compounds and targeted proteins. The compound isomangiferrin and tiliroside presented strong antioxidant potential 78.32% (± 0.213) and 77.77% (± 0.211) respectively in DPPH assay while harmaline showed 80.71% (± 0.072) at 200 µg/mL in ABTS assay. The compound harmine, harmaline and PH-HM 17 exhibited highest zone of inhibition 22 mm, 23 mm, 22 mm respectively against Xanthomonas while Irriflophenone-3-C-β- D-glucopyranoside showed maximum zone of inhibition 34 mm against E. coli. The compound isomangiferrin and vasicine contained strong antibacterial activity 32 mm and 22 mm respectively against S. aureus. The compound mangiferrin, astragalin, tiliroside, quercitin-3-O-rhamnoside showed maximum inhibitory zone 32 mm, 26 mm, 24 mm and 22 mm respectively against Klebsiella pneumoniae. Highest cytotoxic effect was observed by compound tiliroside i.e. 95% with LD
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