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.
Authors
- Sujan Kanti Das (ORCID: https://orcid.org/0000-0003-2814-1553)
- Siraj Uddin (ORCID: https://orcid.org/0000-0003-4511-8697)
- Hridoy Chowdhury (ORCID: https://orcid.org/0009-0000-3883-8464)
- S. M. Naim Uddin
- Anik Das
- Ahnuf Zaman Tomal
Institutions
- Bangladesh Council of Scientific and Industrial Research (BD)
- BGC Trust University Bangladesh (BD)
- University of Chittagong (BD)
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
Funders
- University of Chittagong
- Bangladesh Council of Scientific and Industrial Research