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

doi:10.17509/ijost.v7i1.45663

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

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

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.

Original language	English
Pages (from-to)	159-170
Number of pages	12
Journal	Indonesian Journal of Science and Technology
Volume	7
Issue number	1
DOIs	https://doi.org/10.17509/ijost.v7i1.45663
Publication status	Published - 2022

Keywords

Anticancer
Caspase-3
Molecular docking
Myristica fragrans

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.17509/ijost.v7i1.45663

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Lesmana, R., Ade, F. Y., Pratiwi, Y. S., Goeanawan, H., Sylviana, N., Megantara, S., Susianti, S., Tarawan, V. M., Rejeki, P. S., Ray, H. R. D., & Supratman, U. (2022). Potential Molecular Interaction of Nutmeg’s (Myristica fragrans) Active Compound via Activation of Caspase-3. Indonesian Journal of Science and Technology, 7(1), 159-170. https://doi.org/10.17509/ijost.v7i1.45663

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title = "Potential Molecular Interaction of Nutmeg{\textquoteright}s (Myristica fragrans) Active Compound via Activation of Caspase-3",

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.",

keywords = "Anticancer, Caspase-3, Molecular docking, Myristica fragrans",

author = "Ronny Lesmana and Ade, {Filza Yulina} and Pratiwi, {Yuni Susanti} and Hanna Goeanawan and Nova Sylviana and Sandra Megantara and Susianti Susianti and Tarawan, {Vita Murniati} and Rejeki, {Purwo Sri} and Ray, {Hamidie Ronald Daniel} and Unang Supratman",

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year = "2022",

doi = "10.17509/ijost.v7i1.45663",

language = "English",

volume = "7",

pages = "159--170",

journal = "Indonesian Journal of Science and Technology",

issn = "2528-1410",

publisher = "Universitas Pendidikan Indonesia",

number = "1",

}

Lesmana, R, Ade, FY, Pratiwi, YS, Goeanawan, H, Sylviana, N, Megantara, S, Susianti, S, Tarawan, VM, Rejeki, PS, Ray, HRD & Supratman, U 2022, 'Potential Molecular Interaction of Nutmeg’s (Myristica fragrans) Active Compound via Activation of Caspase-3', Indonesian Journal of Science and Technology, vol. 7, no. 1, pp. 159-170. https://doi.org/10.17509/ijost.v7i1.45663

TY - JOUR

T1 - Potential Molecular Interaction of Nutmeg’s (Myristica fragrans) Active Compound via Activation of Caspase-3

AU - Lesmana, Ronny

AU - Ade, Filza Yulina

AU - Pratiwi, Yuni Susanti

AU - Goeanawan, Hanna

AU - Sylviana, Nova

AU - Megantara, Sandra

AU - Susianti, Susianti

AU - Tarawan, Vita Murniati

AU - Rejeki, Purwo Sri

AU - Ray, Hamidie Ronald Daniel

AU - Supratman, Unang

PY - 2022

Y1 - 2022

N2 - 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.

AB - 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.

KW - Anticancer

KW - Caspase-3

KW - Molecular docking

KW - Myristica fragrans

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U2 - 10.17509/ijost.v7i1.45663

DO - 10.17509/ijost.v7i1.45663

M3 - Article

AN - SCOPUS:85135217050

SN - 2528-1410

VL - 7

SP - 159

EP - 170

JO - Indonesian Journal of Science and Technology

JF - Indonesian Journal of Science and Technology

IS - 1

ER -

Potential Molecular Interaction of Nutmeg’s (Myristica fragrans) Active Compound via Activation of Caspase-3

Abstract

Keywords

UN SDGs

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