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
Zobayed Islam, Hridoy Chowdhury, Sujan Kanti Das, Ahnuf Zaman Tomal, Anik Das, S. M. Naim UddinThis 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 H 2 O 2 and an IC 50 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 (LC 50 = 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.