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Pharmacological potential of Clinacanthus nutans: integrating network pharmacology with experimental studies against lung cancer.

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Title: Pharmacological potential of Clinacanthus nutans: integrating network pharmacology with experimental studies against lung cancer.
Authors: Marseti, Salma Wahid, Hermanto, Feri Eko, Widyananda, Muhammad Hermawan, Rosyadah, Nuraini, Kamila, Fairuz Sarah, Annisa, Yuslinda, Dwijayanti, Dinia Rizqi, Ulfa, Siti Mariyah, Widodo, Nashi
Source: Journal of Biologically Active Products from Nature; Jun2024, Vol. 14 Issue 3, p343-358, 16p
Subject Terms: LUNG cancer, FLAVONES, MOLECULAR dynamics, PHARMACOLOGY, CYTOTOXINS, FLAVONOIDS
Abstract: Limited treatment options and emerging resistance necessitate the exploration of novel lung cancer therapeutics. This study investigates the potential of Dandang Gendis (Clinacanthus nutans) leaf extract, a Southeast Asian plant, using a combined in vitro and in silico approach. The in vitro study assessed the extract's cytotoxicity towards A549 lung cancer and TIG-1 fibroblast cells using the WST-1 assay. The in silico analysis identified active compounds, predicted a target protein, performed functional annotation and explored mechanisms through molecular docking and dynamics simulations. The in vitro analysis revealed a significantly higher flavonoid content (177.63 mg QE/g) compared to phenols (45.66 mg GAE/g), suggesting a potential role for flavonoids. Importantly, the extract displayed remarkable selectivity in its cytotoxic effects. It significantly reduced A549 lung cancer cell viability while maintaining high viability in normal TIG-1 fibroblasts, particularly at the 24-hour exposure. While concentrations above 200 μg/ mL significantly decreased the viability of A549 cancer cells, normal TIG-1 fibroblast cells maintained high viability (>50%) at these concentrations. In silico analysis identified isomollupentin 7-O-β-glucoside, isoorientin, and isovitexin, all C-glycosyl flavones, as potential active compounds. These compounds were predicted to act as PD-L1 inhibitors, potentially enhancing T cell-mediated antitumor activity. This aligns with the observed selective cytotoxicity. Overall, this study provides evidence for the potential of the C. nutans extract and its C-glycosyl flavone constituents, particularly the identified compounds, as novel lung cancer therapeutics targeting the PD-L1 pathway for T cell-mediated tumor suppression. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Biologically Active Products from Nature is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Complementary Index
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  Data: Pharmacological potential of Clinacanthus nutans: integrating network pharmacology with experimental studies against lung cancer.
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  Data: <searchLink fieldCode="AR" term="%22Marseti%2C+Salma+Wahid%22">Marseti, Salma Wahid</searchLink><br /><searchLink fieldCode="AR" term="%22Hermanto%2C+Feri+Eko%22">Hermanto, Feri Eko</searchLink><br /><searchLink fieldCode="AR" term="%22Widyananda%2C+Muhammad+Hermawan%22">Widyananda, Muhammad Hermawan</searchLink><br /><searchLink fieldCode="AR" term="%22Rosyadah%2C+Nuraini%22">Rosyadah, Nuraini</searchLink><br /><searchLink fieldCode="AR" term="%22Kamila%2C+Fairuz+Sarah%22">Kamila, Fairuz Sarah</searchLink><br /><searchLink fieldCode="AR" term="%22Annisa%2C+Yuslinda%22">Annisa, Yuslinda</searchLink><br /><searchLink fieldCode="AR" term="%22Dwijayanti%2C+Dinia+Rizqi%22">Dwijayanti, Dinia Rizqi</searchLink><br /><searchLink fieldCode="AR" term="%22Ulfa%2C+Siti+Mariyah%22">Ulfa, Siti Mariyah</searchLink><br /><searchLink fieldCode="AR" term="%22Widodo%2C+Nashi%22">Widodo, Nashi</searchLink>
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  Data: Journal of Biologically Active Products from Nature; Jun2024, Vol. 14 Issue 3, p343-358, 16p
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  Data: <searchLink fieldCode="DE" term="%22LUNG+cancer%22">LUNG cancer</searchLink><br /><searchLink fieldCode="DE" term="%22FLAVONES%22">FLAVONES</searchLink><br /><searchLink fieldCode="DE" term="%22MOLECULAR+dynamics%22">MOLECULAR dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22PHARMACOLOGY%22">PHARMACOLOGY</searchLink><br /><searchLink fieldCode="DE" term="%22CYTOTOXINS%22">CYTOTOXINS</searchLink><br /><searchLink fieldCode="DE" term="%22FLAVONOIDS%22">FLAVONOIDS</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Limited treatment options and emerging resistance necessitate the exploration of novel lung cancer therapeutics. This study investigates the potential of Dandang Gendis (Clinacanthus nutans) leaf extract, a Southeast Asian plant, using a combined in vitro and in silico approach. The in vitro study assessed the extract's cytotoxicity towards A549 lung cancer and TIG-1 fibroblast cells using the WST-1 assay. The in silico analysis identified active compounds, predicted a target protein, performed functional annotation and explored mechanisms through molecular docking and dynamics simulations. The in vitro analysis revealed a significantly higher flavonoid content (177.63 mg QE/g) compared to phenols (45.66 mg GAE/g), suggesting a potential role for flavonoids. Importantly, the extract displayed remarkable selectivity in its cytotoxic effects. It significantly reduced A549 lung cancer cell viability while maintaining high viability in normal TIG-1 fibroblasts, particularly at the 24-hour exposure. While concentrations above 200 μg/ mL significantly decreased the viability of A549 cancer cells, normal TIG-1 fibroblast cells maintained high viability (>50%) at these concentrations. In silico analysis identified isomollupentin 7-O-β-glucoside, isoorientin, and isovitexin, all C-glycosyl flavones, as potential active compounds. These compounds were predicted to act as PD-L1 inhibitors, potentially enhancing T cell-mediated antitumor activity. This aligns with the observed selective cytotoxicity. Overall, this study provides evidence for the potential of the C. nutans extract and its C-glycosyl flavone constituents, particularly the identified compounds, as novel lung cancer therapeutics targeting the PD-L1 pathway for T cell-mediated tumor suppression. [ABSTRACT FROM AUTHOR]
– Name: Abstract
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Biologically Active Products from Nature is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.1080/22311866.2024.2367997
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      – Code: eng
        Text: English
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        PageCount: 16
        StartPage: 343
    Subjects:
      – SubjectFull: LUNG cancer
        Type: general
      – SubjectFull: FLAVONES
        Type: general
      – SubjectFull: MOLECULAR dynamics
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      – SubjectFull: PHARMACOLOGY
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      – SubjectFull: CYTOTOXINS
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      – SubjectFull: FLAVONOIDS
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      – TitleFull: Pharmacological potential of Clinacanthus nutans: integrating network pharmacology with experimental studies against lung cancer.
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              M: 06
              Text: Jun2024
              Type: published
              Y: 2024
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