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In Silico and In Vitro Approach of Preeclampsia Prophylaxis from Water of Kalianda Kopyor

Jurnal Kesehatan Masyarakat · Vol. 21 No. 1 (2025) · hlm. 1–11

DOI
10.15294/kemas.v21i1.3468
ISSN
2355-3596, 1858-1196
Terbit
2025-07-30
Penerbit
Universitas Negeri Semarang in collaboration with Ikatan Ahli Kesehatan Masyarakat Indonesia (IAKMI Tingkat Pusat) and Jejaring Nasional Pendidikan Kesehatan (JNPK)
Bahasa
eng

Abstrak

Preeclampsia (PE) stands as a prominent cause of maternal mortality in developing nations, yet a standardized therapy for PE has not been established. Some pregnant women in Lampung have consumed the water of young kopyor coconut fruit from the Kalianda variety (WKK), although its therapeutic effects remain unexplored. This study aimed to investigate WKK phytochemicals through in vitro and silico analyses. Liquid Chromatography-Mass Spectrometry (LCMS) was employed for phytochemical analysis, while an in silico study involved Autodock, Autodock Tools, Autodock Vina, Biovia Discovery Studio 2020, and Open Babel GUI, alongside pharmacokinetics prediction using the pkCSM strategy. The study assessed the inhibitory potential of WKK on Gentiatibetine and curcumenolacto C, targeting the PE ACE2 receptor (1R24) through molecular docking with the 3D structure. Post-docking analysis, including binding affinities, hydrophobic interactions, and pharmacokinetic predictions, was conducted. WKK exhibited relatively low binding affinities for Gentiatibetine (-4.86 kcal/mol), curcumenolactone C (-2.96 kcal/mol), and aspirin (-5.12 kcal/mol). Multiple hydrophobic interactions were observed, such as Van der Waals, Salt Bridge, Conventional Hydrogen Bond, Alkyl, 162, and Lys 129. The receptor IR displayed a high bond-free energy, like aspirin docked with the same gene receptor. Pharmacokinetics predictions indicated that WKK possesses a favorable profile. In conclusion, WKK phytochemicals demonstrated a notable docking score comparable to aspirin, suggesting its potential for preventive therapy use.

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  • Universitas Halu Oleo
  • Hasanuddin University
  • University of Pembangunan Nasional Veteran Jawa Timur
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Rekan penulisOrganisasiArtikel bersama
Shanti ListyawatiAfiliasi tidak diketahui2
Akhyar AbdullahUniversitas Halu Oleo1
Sahrun SahrunAfiliasi tidak diketahui1
Pitrah AsfianAfiliasi tidak diketahui1
Ridha NirmalasariAfiliasi tidak diketahui1
Agus WahyudinAfiliasi tidak diketahui1
Andi AgusniatihAfiliasi tidak diketahui1
Wulan Suci Eka HandayaniAfiliasi tidak diketahui1
Sita AwalunisaAfiliasi tidak diketahui1
Amrullah AmrullahAfiliasi tidak diketahui1
Baharina BaharinaAfiliasi tidak diketahui1
Florensia Syntesa HarytaAfiliasi tidak diketahui1
Agung Rorhi PrayudhaAfiliasi tidak diketahui1
Putri Delvina SariAfiliasi tidak diketahui1
Fitria FitriaAfiliasi tidak diketahui1
Anizar AhmadAfiliasi tidak diketahui1
Siti MaryamAfiliasi tidak diketahui1
Nurbaiti NurbaitiAfiliasi tidak diketahui1
Rosmala DewiAfiliasi tidak diketahui1
izzatul jannahAfiliasi tidak diketahui1
Rahmayanti RahmayantiHasanuddin University1
Siti HadijahAfiliasi tidak diketahui1
Edy SetyawanAfiliasi tidak diketahui1
Yenni KurniawatiAfiliasi tidak diketahui1
Lisa UtamiAfiliasi tidak diketahui1
Sugiarto SugiartoUniversity of Pembangunan Nasional Veteran Jawa Timur1
Astri PurwantiAfiliasi tidak diketahui1
Brian WasitaAfiliasi tidak diketahui1
Tantri Febriana PutriAfiliasi tidak diketahui1
Fista UtamiAfiliasi tidak diketahui1
Alfian Abdul RajabAfiliasi tidak diketahui1
SajidanAfiliasi tidak diketahui1
Bambang PurwantoAfiliasi tidak diketahui1
Hafi NurinasariAfiliasi tidak diketahui1
Didik T SubektiAfiliasi tidak diketahui1
Anantha SenaAfiliasi tidak diketahui1

Afiliasi berasal dari OpenAlex; metadata OAI-PMH jurnal tidak memuatnya. Penulis tanpa ID OpenAlex dicocokkan berdasarkan nama, sehingga dua orang bisa tergabung atau satu orang bisa terpisah.

Sumber metadata: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/journals/kemas/oai, pertama di-harvest 6 Nov 2026, terakhir terlihat 8 Nov 2026.
Metadata asli (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<dc:title xml:lang="en">In Silico and In Vitro Approach of Preeclampsia Prophylaxis from Water of Kalianda Kopyor</dc:title>
	<dc:creator xml:lang="en">Fitriana, Fitriana</dc:creator>
	<dc:creator xml:lang="en">Soetrisno, Soetrisno</dc:creator>
	<dc:creator xml:lang="en">Sulistyowati, Sri</dc:creator>
	<dc:creator xml:lang="en">Indarto, Dono</dc:creator>
	<dc:subject xml:lang="en">Preeclampsia</dc:subject>
	<dc:subject xml:lang="en">phytochemicals</dc:subject>
	<dc:subject xml:lang="en">water of young kopyor</dc:subject>
	<dc:subject xml:lang="en">coconut prevention therapy</dc:subject>
	<dc:description xml:lang="en">Preeclampsia (PE) stands as a prominent cause of maternal mortality in developing nations, yet a standardized therapy for PE has not been established. Some pregnant women in Lampung have consumed the water of young kopyor coconut fruit from the Kalianda variety (WKK), although its therapeutic effects remain unexplored. This study aimed to investigate WKK phytochemicals through in vitro and silico analyses. Liquid Chromatography-Mass Spectrometry (LCMS) was employed for phytochemical analysis, while an in silico study involved Autodock, Autodock Tools, Autodock Vina, Biovia Discovery Studio 2020, and Open Babel GUI, alongside pharmacokinetics prediction using the pkCSM strategy. The study assessed the inhibitory potential of WKK on Gentiatibetine and curcumenolacto C, targeting the PE ACE2 receptor (1R24) through molecular docking with the 3D structure. Post-docking analysis, including binding affinities, hydrophobic interactions, and pharmacokinetic predictions, was conducted. WKK exhibited relatively low binding affinities for Gentiatibetine (-4.86 kcal/mol), curcumenolactone C (-2.96 kcal/mol), and aspirin (-5.12 kcal/mol). Multiple hydrophobic interactions were observed, such as Van der Waals, Salt Bridge, Conventional Hydrogen Bond, Alkyl, 162, and Lys 129. The receptor IR displayed a high bond-free energy, like aspirin docked with the same gene receptor. Pharmacokinetics predictions indicated that WKK possesses a favorable profile. In conclusion, WKK phytochemicals demonstrated a notable docking score comparable to aspirin, suggesting its potential for preventive therapy use.</dc:description>
	<dc:publisher xml:lang="en">Universitas Negeri Semarang in collaboration with Ikatan Ahli Kesehatan Masyarakat Indonesia (IAKMI Tingkat Pusat) and Jejaring Nasional Pendidikan Kesehatan (JNPK)</dc:publisher>
	<dc:date>2025-07-30</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:type xml:lang="en">Peer-reviewed Article</dc:type>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://journal.unnes.ac.id/journals/kemas/article/view/3468</dc:identifier>
	<dc:identifier>10.15294/kemas.v21i1.3468</dc:identifier>
	<dc:source xml:lang="en">Jurnal Kesehatan Masyarakat; Vol. 21 No. 1 (2025); 1-11</dc:source>
	<dc:source>2355-3596</dc:source>
	<dc:source>1858-1196</dc:source>
	<dc:source>10.15294/kemas.v21i1</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://journal.unnes.ac.id/journals/kemas/article/view/3468/5847</dc:relation>
	<dc:rights xml:lang="en">Copyright (c) 2025 Jurnal Kesehatan Masyarakat</dc:rights>
</oai_dc:dc>