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Journal : Indonesian Journal of Science and Technology

Potential Molecular Interaction of Nutmeg’s (Myristica fragrans) Active Compound via Activation of Caspase-3 Ronny Lesmana; Filza Yulina Ade; Yuni Susanti Pratiwi; Hanna Goeanawan; Nova Sylviana; Sandra Megantara; Susianti Susianti; Vita Murniati Tarawan; Purwo Sri Rejeki; Hamidie Ronald Daniel Ray; Unang Supratman
Indonesian Journal of Science and Technology Vol 7, No 1 (2022): IJOST: VOLUME 7, ISSUE 1, April 2022
Publisher : Universitas Pendidikan Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17509/ijost.v7i1.45663

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.
Co-Authors Ade Zuhrotun Adira Rahmawaty Aeni, Wida Nur Alifia Syifa Pebriani Annisa Ayu Ningtyas Carolina Sitepu ARNANDA, QUINZHEILLA PUTRI ASRI SAVITRI Atusholihah, Annisa Auliya AS, Nisa Nurul Baihaqi, Achmad Al Batari A. Larasati Bawono, Lidya Cahyo Dede Jihan Oktaviani Dede Jihan Oktaviani Diah Siti Fatimah DIAH SITI FATIMAH Eli Halimah, Eli Ella Fazila Elsa Noor Hapitria Ester Uli Elisabeth Simanjuntak Fadhilah, Ersa FAJRA DINDA CRENDHUTY Fatharan, Rahma Haniyyah FATIMAH, DIAH SITI Fauzia Rahma Cahyani Fauziyyah, Ganis Fitria Febrina Amelia Saputri Febrina Amelia Saputri, Febrina Amelia Filza Yulina Ade Ganendra Akbar Hadiyanto Gin Gin Ginanjar, Gin Gin Gofarana Wilar Gracia Anastasya Hanna Goeanawan HARTONO, ADI Holis Abdul Holik, Holis Abdul Hutabarat, Rismauli Ruth Natasari Ida Musfiroh -, Ida Musfiroh Isman, Hasna Siti Munifah Iyan Sopyan Jiranusornkul, Supat Jutti Levita Khairinisa, Miski Aghnia Maknun, Shofiyah Durin Maryam Hasymia Ishmatullah Mochamad Rizal Muchtaridi Muchtaridi Muhammad Afif Muhammad Ikhsan Muhammad Syahid Abdillah Mutakin Mutakin Nabila Alivia Yasmin NADIATUL KHAIRA. Y Nasrul Wathoni Nisa Safitri Norisca Aliza Putriana Nova Sylviana Nurdiani Adiningsih Nurdiani Adiningsih OKTAVIANI, DEDE JIHAN Prayoga, Randy Rassi Quinzheilla Putri Arnanda Quinzheilla Putri Arnanda RAMADHAN, SAQILA ALIFA Rania Talinta L Ray, Hamidie Ronald Daniel Rejeki, Purwo Sri Ridwan, Hanna Salwa Rina Wijayanti Rini Hendriani Ronny Lesmana Rusdin, Agus Sabila, Rusydina Salim, Prayoga Drajat Pangestu Saqila Alifa Ramadhan Saqila Alifa Ramadhan Shella - Widiyastuti Shella Widiyastuti Shella Widiyastuti Shinta Lestari SHINTA LESTARI Shinta Lestari, Shinta Silvia, Nurfianti Siska Sari Marvita Sitti Faza Karima Slamet Ibrahim - SOLEH SOLEH SOLEH Sri Adi Sumiwi Sri Indrayani Suhandi, Cecep Suhendi, Cece Susianti Susianti Trie Oktaviani Unang Supratman Vita Murniati Tarawan Widiyastuti, Shella Yasmiwar Susilawati Yogiyanto Yogiyanto Yuni Susanti Pratiwi