In vitro anthelmintic activity of Macaranga denticulata and in silico molecular docking analysis of its isolated compounds with tubulin

Mohammad Shah Hafez Kabir, Arkajyoti Paul, Mohuya Mojumdar, Abul Hasanat, Md. Mohaiminul Islam, Afia Nabila, Md. Jakiul Islam, Md. Rabiul Hossain, Nishan Chakrabarty, Mohammad Nazmul Islam*

The aim of the present study was to evaluate anthelmintic activity on Tubifex tubifex worm of methanol extract of Macaranga denticulata (Muell. Arg.) leaves and in silico molecular docking used for six phytoconstituents namely 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, stigmasterol isolated from M. denticulata, to identify whether these compounds interact with tubulin. M. denticulata leaves extract exhibited strong anthelmintic activity in vitro. Where it paralyzed (10.22±0.69min) and produced death (19.43±0.80 min) of the Tubifex tubifex at 10 mg/ml dose and the standard, Levamisole (3.3±0.38min and 6.5±0.76min) at 1 mg/ml. A wide range of docking score found during molecular docking by Schrodinger. 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, stigmasterol showed the docking score -5.733, -3.951, -7.584, -6.115, - 8.307-, and 8.021 respectively. Among all the compounds, β-sitosterol showed highest docking score. So, β- sitosterol is the best compounds as anthelmintic drug, as it possessed higher value in Molecular docking. Methanol extract of M. Denticulata leaves showed well anthelmintic activity. Further in vivo investigation need to identify that isolated compounds from M. denticulata have anthelmintic activity.