Ronny Lesmana, - and Filza Yulina Ade, - and Yuni Susanti Pratiwi, - and Hanna Goeanawan, - and Nova Sylviana, - and Sandra Megantara, - and Susianti, - and Vita Murniati Tarawan, - and Purwo Sri Rejeki, - and Hamidie Ronald Daniel Ray, - and Unang Supratman, - (2022) Potential Molecular Interaction of Nutmeg's (Myristica Fragrans) Active Compound via Activation of Caspase-3. Indonesian Journal of Science & Technology, 7 (1). pp. 159-170. ISSN 2528-1410

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Abstract

Myristica fragrans Houtt (belongs to the Myristicaceae family) is a Maluku Island (Indonesia) native plant. The seed of M. fragrans (Nutmeg) has been used for medicinal benefits. M. fragrans also has anti-cancer properties. The goal of this research was to use computer-aided drug design to investigate the in silico molecular docking of selected nutmeg compounds against Caspase-3. Molecular docking using Malegro Virtual Docker (MVD) software Ver 5.5 was performed to investigate binding complicated models to offer information on critical drug-receptor interactions. The most potent ligand was Licarin B, which had a docking score of -103.07 kcal/mol. The Licarin B structure formed several hydrogen bonds with Trp214 and Phe250. These findings imply that the nutmeg seed contains a prospective compound that could be a great anti-cancer agent.

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