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Molecular docking study of Zingiber officinale Roscoe compounds as a mumps virus nucleoprotein inhibitor

Dental Journal (Majalah Kedokteran Gigi) · Vol. 56 No. 1 (2023) · hlm. 23–29

DOI
10.20473/j.djmkg.v56.i1.p23-29
ISSN
2442-9740, 1978-3728
Terbit
2023-01-02
Penerbit
Faculty of Dental Medicine, Universitas Airlangga https://fkg.unair.ac.id/en
Bahasa
eng
Lisensi
creativecommons.org/licenses/by-sa/4.0

Abstrak

Background: Mumps virus (MuV) can trigger severe infections, such as parotitis, epididymo-orchitis, and meningitis. The effectiveness of MuV vaccine administration has been proven, but current outbreaks warrant the development of antivirals against MuV. Zingiber officinale var. Roscoe or ginger is often used as an alternative remedy. Currently, there are no known in vitro or in vivo studies that investigate ginger as an MuV antiviral. Purpose: This study aims to evaluate the antiviral potency of the bioactive compounds in Zingiber officinale var. Roscoe against MuV. Methods: Antiviral activity screening was conducted by druglikeness analysis, antiviral probability, molecular docking, and molecular dynamic simulation. Results: As an antiviral, 6-shogaol from Zingiber officinale var. Roscoe has potency against MuV. It has a good binding affinity and can establish interactions with the binding domain of the target protein by forming hydrogen, Van der Waals, and alkyl bonds. Conclusion: The complex of 6-shogaol_NP was predicted to be volatile but stable for triggering inhibitory activity. However, these results must be proved by in vivo and in vitro approaches to strengthen the scientific evidence.

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  • Universitas Airlangga
  • Universitas Gadjah Mada
  • Sulaiman Al Rajhi Colleges
  • Maastricht University
  • Mississippi State University
  • Uttaranchal University
  • Universitas Negeri Padang
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Rekan penulisOrganisasiArtikel bersama
Mochammad Aqilah HerdiansyahUniversitas Airlangga1
Arif Nur Muhammad AnsoriUniversitas Airlangga1
Mochamad Radika Tory AlifiansyahUniversitas Airlangga1
Dhea AnggrainiUniversitas Airlangga1
Qiara Amelia Putri PriyonoUniversitas Airlangga1
Putri Antika YusniasariUniversitas Airlangga1
Amelia Julia Tria FettyUniversitas Airlangga1
Rahadian ZainulUniversitas Negeri Padang1
Maksim RebezovAfiliasi tidak diketahui1
Evgeniy KolesnikRussian State Agrarian University - Moscow Timiryazev Agricultural Academy1
Nikolai MaksimiukYaroslav-the-Wise Novgorod State University1
Arli Aditya ParikesitIndonesia International Institute for Life Sciences1
Arif Nur Muhammad AnsoriUniversitas Airlangga1
Tengku Natasha Eleena binti Tengku Ahmad NoorRoyal College of Surgeons of Edinburgh1
Meralda Rossy SyahdindaUniversitas Airlangga1
Ari TriwardhaniUniversitas Airlangga1

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Sumber metadata: OAI-PMH (metadata jurnal) https://e-journal.unair.ac.id/MKG/oai, pertama di-harvest 8 Nov 2026, terakhir terlihat 8 Nov 2026.
Metadata asli (oai_dc) 
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	<dc:title xml:lang="en-US">Molecular docking study of Zingiber officinale Roscoe compounds as a mumps virus nucleoprotein inhibitor</dc:title>
	<dc:creator>Kharisma, Viol Dhea</dc:creator>
	<dc:creator>Utami, Santika Lusia</dc:creator>
	<dc:creator>Rizky, Wahyu Choirur</dc:creator>
	<dc:creator>Dings, Tim Godefridus Antonius</dc:creator>
	<dc:creator>Ullah, Md Emdad</dc:creator>
	<dc:creator>Jakhmola, Vikash</dc:creator>
	<dc:creator>Nugraha, Alexander Patera</dc:creator>
	<dc:subject xml:lang="en-US">communicable disease</dc:subject>
	<dc:subject xml:lang="en-US">medicine</dc:subject>
	<dc:subject xml:lang="en-US">mumps</dc:subject>
	<dc:subject xml:lang="en-US">nucleoprotein</dc:subject>
	<dc:subject xml:lang="en-US">Zingiber officinale</dc:subject>
	<dc:description xml:lang="en-US">Background: Mumps virus (MuV) can trigger severe infections, such as parotitis, epididymo-orchitis, and meningitis. The effectiveness of MuV vaccine administration has been proven, but current outbreaks warrant the development of antivirals against MuV. Zingiber officinale var. Roscoe or ginger is often used as an alternative remedy. Currently, there are no known in vitro or in vivo studies that investigate ginger as an MuV antiviral. Purpose: This study aims to evaluate the antiviral potency of the bioactive compounds in Zingiber officinale var. Roscoe against MuV. Methods: Antiviral activity screening was conducted by druglikeness analysis, antiviral probability, molecular docking, and molecular dynamic simulation. Results: As an antiviral, 6-shogaol from Zingiber officinale var. Roscoe has potency against MuV. It has a good binding affinity and can establish interactions with the binding domain of the target protein by forming hydrogen, Van der Waals, and alkyl bonds. Conclusion: The complex of 6-shogaol_NP was predicted to be volatile but stable for triggering inhibitory activity. However, these results must be proved by in vivo and in vitro approaches to strengthen the scientific evidence. </dc:description>
	<dc:publisher xml:lang="en-US">Faculty of Dental Medicine, Universitas Airlangga https://fkg.unair.ac.id/en</dc:publisher>
	<dc:date>2023-01-02</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:format>text/xml</dc:format>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://e-journal.unair.ac.id/MKG/article/view/35122</dc:identifier>
	<dc:identifier>10.20473/j.djmkg.v56.i1.p23-29</dc:identifier>
	<dc:source xml:lang="en-US">Dental Journal (Majalah Kedokteran Gigi); Vol. 56 No. 1 (2023): March 2023; 23-29</dc:source>
	<dc:source>2442-9740</dc:source>
	<dc:source>1978-3728</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://e-journal.unair.ac.id/MKG/article/view/35122/39861</dc:relation>
	<dc:relation>https://e-journal.unair.ac.id/MKG/article/view/35122/23495</dc:relation>
	<dc:rights xml:lang="en-US">Copyright (c) 2023 Dental Journal (Majalah Kedokteran Gigi)</dc:rights>
	<dc:rights xml:lang="en-US">https://creativecommons.org/licenses/by-sa/4.0</dc:rights>
</oai_dc:dc>