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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 , Sakina Abdulloh, Ido Nur Abdurachman Adi Pranoto, Adi Al arif, Mohammad Anam Alanna Sari Pratikto Alanna Sari Pratikto Amaliyah, Miftahul Nur Ananda, Naoval Diza Andrianto Andrianto Anita Faradilla Rahim Arifa Mustika Atika Atika Ayubi, Novadri Bambang Purwanto Bambang Purwanto Breklen Risal Ary Wibowo Cantika Putri Melyana Chabib Fachry Albab Chandra, Cecilia Felicia Cornelius Coli Cornelius Coli Deandra Maharani Widiatmaja Dedi Kuswandi Desi Rahmah Sari Desiana Merawati Dewangga Satria Sakti Kinasih Dewi Ratna Sari Dita Mega Utami Eka Arum Cahyaning Putri Eko Purwanto Elyana Asnar Fathil, Nur Ezza Fazleen Mohd Fathimatuzzahroh, Fathimatuzzahroh Fikri Sasongko Widyatama Filza Yulina Ade Fitry Nachamory Oemar Hakim, Faiq Amirul Hamidah Kurniasari Hamidah Kurniasari Hanik Badriyah Hidayati,* Mohammad Hasan Machfoed,* Kuntoro,** Soetojo,*** Budi Santoso,**** Suroto,***** Budi Utomo****** Hanna Goeanawan HARJANTO HARJANTO Hartono Kahar, Hartono Hasan, Helmia Hening Laswati Putra HERAWATI, LILIK Hermanto Tri Joewono Hermina Novida, Hermina Heryana, Achmad Yuniari I'tishom, Reny Ido Nur Abdulloh Ido Nur Abdulloh Imam Subadi Imam Susilo Iqbal Laksana Irmantara Subagio Irmantara Subagio Irwadi, Irfiansyah Ismi Dian Meiliana Izzatunnisa, Nabilah Karimah, Azimatul Khairina Khalfani, Muhammad Adrian Kurniasari, Hamidah Laksana, Iqbal Leonardo Lubis MEGANTARA, SANDRA Melyana, Cantika Putri Miftahul Nur Amaliyah Misbah Abdul Haris Nasution Alhanif Misbakhul Munir Mochammad Abdul Aziz, Mochammad Abdul Mohammad Anam Al-Ari Mubasyiroh, Nabila Ainaya Mufarrihul Ihsan Muhammad Adrian Khalfani Muhammad Al-Farouq Yufiro Akbar Muhammad Miftahussurur Ni Luh Putu Ayu Putrisari Putri Nova Sylviana Nur Ezza Fazleen Mohd Fathil Oemar, Fitry Nachamory Pambudi, A. Agam Haris Paulus Liben, Paulus Permana, Noah Jefferson Prasetya, Rizka Eka Qurnianingsih, Ema Raden Argarini Ray, Hamidie Ronald Daniel RizkaEka Prasetya Rizki Eka Prasetya Ronny Lesmana Rosdianto, Aziiz Mardanarian Rurus Suryawan S. Sugiharto Sakina Sakina Sakina Samsriyaningsih Handayani Saputro, Zanuar Bagus Saputro, Zanuar Bagus Sari, Gadis Meinar Savitri, Camilia Metadea Aji Septyaningrum Putri Purwoto Setiawan Setiawan Setiawan, Hayuris Kinandita Siti Khaerunnisa Soelistijo, Soebagijo Adi Soffil Yudha Mulyadi Sony Wibisono Sri Sunarti Sri Sunarti Sri Umijati Sugiharto Sugiharto Sugiharto Sugiharto Suhartati Suhartati Sukarno, Devitya Angielevi Sundari Indah Wiyasihati Suryawan, I Gde Rurus Susi Wahyuning Asih Susianti Susianti Suyoko, Andri Syahraya, Indira Texaga, Derryl Rasad Tinduh, Darmayanti Ummah, Fithriyah Cholifatul Unang Supratman Vania Islamey Kusuma Vita Murniati Tarawan Wardani, Tjitra Wardani, Tjitra Wardhani, Indrayuni Lukitra Yoshio Yamaoka, Yoshio Yudith Annisa Ayu Rezkitha, Yudith Annisa Ayu Yuliawati, Tri Hartini Yuni Susanti Pratiwi