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 anthelmint

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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Publication Details

Journal
PLoS ONE
Published
2026-10-26
DOI
https://doi.org/10.1371/journal.pone.0360173
Primary Topic
Medicinal Plant Research
Type
article
Field-Weighted Citation Impact
0.00

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article

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 anthelmint

Sujan Kanti Das, Siraj Uddin, Hridoy Chowdhury, S. M. Naim Uddin et al.
PLoS ONE
Medicinal Plant Research
article

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 anthelmint

Sujan Kanti Das, Siraj Uddin, Hridoy Chowdhury, S. M. Naim Uddin, Anik Das, Ahnuf Zaman Tomal
article en

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.

PLoS ONEVol. 21(10)
Bangladesh Council of Scientific and Industrial Research (BD), BGC Trust University Bangladesh (BD), University of Chittagong (BD)
University of Chittagong, Bangladesh Council of Scientific and Industrial Research
Openalex Percentile: Top 15%
Medicinal Plant Research
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