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<p><i>Rhinacanthus nasutus</i> (L.) Kurz is an herbal plant with distinctive medicinal properties which have been used in Ayurvedic treatments for several diseases. This study explored the preliminary antioxidant, antidiabetic, and antibacterial activities of <i>R. nasutus</i> rhizomes using both in vitro and computational docking methods. <i>R. nasutus</i> rhizomes were sequentially extracted using <i>n</i>-hexane (HRN), chloroform (CRN), and methanol (MRN). These fractions were analysed for total phenolic and flavonoid content. Antioxidant capacity was measured via phosphomolybdate and DPPH scavenging assays, while antidiabetic activity was assessed through glucose adsorption and yeast cell glucose uptake models. Phytochemical profiles were determined using Gas Chromatography-Mass Spectrometry. To understand molecular interactions, computational docking was performed on identified compounds against key enzymes: human erythrocyte catalase, peroxiredoxin, pancreatic <i>α</i>-amylase, and lysosomal <i>α</i>-glucosidase. Furthermore, ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiles and drug-likeness scores were evaluated to predict therapeutic safety and efficacy. Statistical analyses were performed using <i>t</i>-test and ANOVA. The results showed that MRN gave the highest extraction yield and was the richest in total phenolic and flavonoid contents, whereas HRN showed the highest total antioxidant capacity in the phosphomolybdate assay. In the DPPH assay, CRN exhibited the strongest radical-scavenging activity, but the combined extract (SRN) did not show synergy; instead, the fractional inhibitory index indicated an antagonistic interaction among the fractions. In the antidiabetic assays, MRN demonstrated the greatest glucose uptake by yeast cells and the highest glucose adsorption capacity, suggesting a stronger preliminary glucose-lowering potential than the other fractions. Antibacterial screening showed only weak activity, with HRN producing a small inhibition zone against <i>S. aureus</i> and no detectable activity against the Gram-negative strains tested. GC-MS identified various terpenoids, quinones, and furan derivatives. In the computational study, compound 1H exhibited the strongest binding affinity for catalase, <i>α</i>-amylase, and <i>α</i>-glucosidase, while 2C performed best against peroxiredoxin 5. However, ADMET analysis highlighted physicochemical limitations and potential toxicities that require caution. These preliminary findings indicate that <i>R. nasutus</i> possesses a significant abundance of bioactive compounds with antioxidant, antidiabetic and antibacterial properties which suggest a basis for future investigation to validate and elucidate molecular mechanisms necessary for their development as therapeutic agents.</p> Graphical abstract <p></p>

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Phytochemical screening, in vitro and in silico evaluation of antioxidant, anti-diabetic, antibacterial activities of rhizome extracts from Rhinacanthus nasutus (L.) Kurz (snake jasmine)

  • 期刊论文

  • 发表日期：

    2026年7月31日

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  • Minoli Apsara Rupasinghe Sudu Dewage,
  • Visal Chamikara Lorensu Hewage,
  • Gershaun Daniel Naveed George,
  • Wasath Weerasinghe

摘要

Rhinacanthus nasutus (L.) Kurz is an herbal plant with distinctive medicinal properties which have been used in Ayurvedic treatments for several diseases. This study explored the preliminary antioxidant, antidiabetic, and antibacterial activities of R. nasutus rhizomes using both in vitro and computational docking methods. R. nasutus rhizomes were sequentially extracted using n-hexane (HRN), chloroform (CRN), and methanol (MRN). These fractions were analysed for total phenolic and flavonoid content. Antioxidant capacity was measured via phosphomolybdate and DPPH scavenging assays, while antidiabetic activity was assessed through glucose adsorption and yeast cell glucose uptake models. Phytochemical profiles were determined using Gas Chromatography-Mass Spectrometry. To understand molecular interactions, computational docking was performed on identified compounds against key enzymes: human erythrocyte catalase, peroxiredoxin, pancreatic α-amylase, and lysosomal α-glucosidase. Furthermore, ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiles and drug-likeness scores were evaluated to predict therapeutic safety and efficacy. Statistical analyses were performed using t-test and ANOVA. The results showed that MRN gave the highest extraction yield and was the richest in total phenolic and flavonoid contents, whereas HRN showed the highest total antioxidant capacity in the phosphomolybdate assay. In the DPPH assay, CRN exhibited the strongest radical-scavenging activity, but the combined extract (SRN) did not show synergy; instead, the fractional inhibitory index indicated an antagonistic interaction among the fractions. In the antidiabetic assays, MRN demonstrated the greatest glucose uptake by yeast cells and the highest glucose adsorption capacity, suggesting a stronger preliminary glucose-lowering potential than the other fractions. Antibacterial screening showed only weak activity, with HRN producing a small inhibition zone against S. aureus and no detectable activity against the Gram-negative strains tested. GC-MS identified various terpenoids, quinones, and furan derivatives. In the computational study, compound 1H exhibited the strongest binding affinity for catalase, α-amylase, and α-glucosidase, while 2C performed best against peroxiredoxin 5. However, ADMET analysis highlighted physicochemical limitations and potential toxicities that require caution. These preliminary findings indicate that R. nasutus possesses a significant abundance of bioactive compounds with antioxidant, antidiabetic and antibacterial properties which suggest a basis for future investigation to validate and elucidate molecular mechanisms necessary for their development as therapeutic agents.

Graphical abstract