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Molecular Docking of Macarangin isolated from Macaranga denticulata with two targets related to diabetes

Abul Hasanat1,2*, Arkajyoti Paul1,3, Tanvir Nehal Hossain4, Md. Shamsuzzaman5, Md. Rahimul Hasan5, Mohammed Sohel Meah2, Arafat faraque2, H.M. Mehedi Hasan2, Md. Sajjad Ul Hoque1,2, Mohammad Shah Hafez Kabir1,2

To investigation Macarangin, an isolated compound of Macaranga denticulata, can be considered for developing into a potent antidiabetic drug by docking analysis. The plant has used for carminative, emetic, haemoptysis and healing wounds by the tribal in Khagrachari, Bangladesh. Macarangin isolated from Macaranga tanarius was taken as ligand for molecular docking. The molecular targets Alpha amylase and Glucokinase whose crystallographic structures are available on the PDB database as 1PPI, 1V4S respectively, were used for the docking analysis using the Schrödinger-Maestro v10.1. The docking studies of the ligand Macarangin with three different target proteins showed -5.238 and -4.534 respectively Alpha amylase and Glucokinase. According, to the molecular docking it is proved that Macarangin is a potent antidiabetic compound. So, it is need to in vivo investigation in future to identify appropriate antidiabetic activity of Macarangin.

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