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Peer-reviewedCC BY 4.0PLOS One

Integrative in vitro, in vivo, and in silico investigation with mineral profiling of Combretum indicum: A multi-target therapeutic candidate exhibiting antioxidant, thrombolytic, anti-inflammatory, anti-arthritic, analgesic, cytotoxic, and anthelmintic activities

  • Zobayed Islam1
  • Hridoy Chowdhury2
  • Sujan Kanti Das3
  • Ahnuf Zaman Tomal
  • Anik Das
  • S. M. Naim Uddin
  1. 1Department of Pharmacy, Faculty of Biological Science, University of Chittagong, Chattogram, Bangladesh
  2. 2Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, Bangladesh
  3. 3Bangladesh Council of Scientific and Industrial Research, Chattogram, Bangladesh
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Abstract

This study aimed to comprehensively evaluate the pharmacological and computational potential of the methanolic extract of Combretum indicum. Mineral profiling by ICP–AES confirmed the presence of essential elements, including K (5.92 ppm), Mg (4.94 ppm), Fe (1.92 ppm), and Zn (1.13 ppm), with no detectable toxic heavy metals. The extract exhibited strong antioxidant activity with 95.48% inhibition of H2O2 and an IC50 of 0.82 µg/mL. Significant thrombolytic activity was observed, achieving 82.71% clot lysis, exceeding streptokinase. Anti-inflammatory activity showed 95.27% inhibition in vitro and 65% edema reduction in vivo. Anti-arthritic activity reached 85.6% inhibition in vitro and 87.50% in vivo, surpassing indomethacin. Analgesic activity demonstrated up to 70.15% inhibition of writhing. Cytotoxicity (LC50 = 30.19 µg/mL) and strong anthelmintic effects further supported bioactivity. Molecular docking revealed high binding affinities (up to −10.6 kcal/mol), while ADME and drug-likeness analyses indicated favorable pharmacokinetic profiles. DFT analysis confirmed chemical stability and reactivity. Overall, C. indicum demonstrated promising multi-target therapeutic potential, warranting further investigation for drug development.

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Cite

BibTeXRIS
BibTeX
@article{islam2026integrative,
  title = {{Integrative in vitro, in vivo, and in silico investigation with mineral profiling of Combretum indicum: A multi-target therapeutic candidate exhibiting antioxidant, thrombolytic, anti-inflammatory, anti-arthritic, analgesic, cytotoxic, and anthelmintic activities}},
  author = {Zobayed Islam and Hridoy Chowdhury and Sujan Kanti Das and Ahnuf Zaman Tomal and Anik Das and S. M. Naim Uddin},
  journal = {PLOS One},
  year = {2026},
  month = oct,
  doi = {10.1371/journal.pone.0360173},
  url = {https://doi.org/10.1371/journal.pone.0360173},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Integrative in vitro, in vivo, and in silico investigation with mineral profiling of Combretum indicum: A multi-target therapeutic candidate exhibiting antioxidant, thrombolytic, anti-inflammatory, anti-arthritic, analgesic, cytotoxic, and anthelmintic activities
AU  - Zobayed Islam
AU  - Hridoy Chowdhury
AU  - Sujan Kanti Das
AU  - Ahnuf Zaman Tomal
AU  - Anik Das
AU  - S. M. Naim Uddin
PY  - 2026
DA  - 2026/10/26
JO  - PLOS One
DO  - 10.1371/journal.pone.0360173
UR  - https://doi.org/10.1371/journal.pone.0360173
AB  - This study aimed to comprehensively evaluate the pharmacological and computational potential of the methanolic extract of Combretum indicum. Mineral profiling by ICP–AES confirmed the presence of essential elements, including K (5.92 ppm), Mg (4.94 ppm), Fe (1.92 ppm), and Zn (1.13 ppm), with no detectable toxic heavy metals. The extract exhibited strong antioxidant activity with 95.48% inhibition of H2O2 and an IC50 of 0.82 µg/mL. Significant thrombolytic activity was observed, achieving 82.71% clot lysis, exceeding streptokinase. Anti-inflammatory activity showed 95.27% inhibition in vitro and 65% edema reduction in vivo. Anti-arthritic activity reached 85.6% inhibition in vitro and 87.50% in vivo, surpassing indomethacin. Analgesic activity demonstrated up to 70.15% inhibition of writhing. Cytotoxicity (LC50 = 30.19 µg/mL) and strong anthelmintic effects further supported bioactivity. Molecular docking revealed high binding affinities (up to −10.6 kcal/mol), while ADME and drug-likeness analyses indicated favorable pharmacokinetic profiles. DFT analysis confirmed chemical stability and reactivity. Overall, C. indicum demonstrated promising multi-target therapeutic potential, warranting further investigation for drug development.
SN  - 1932-6203
ER  -