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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) · pp. 1–11

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

Abstract

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.

Keywords

Collaboration network of the authors

40 authors · 69 co-authorship links · showing the 40 most connected

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  • Universitas Halu Oleo
  • Hasanuddin University
  • University of Pembangunan Nasional Veteran Jawa Timur
  • Affiliation unknown
  • Different organisations
  • Same organisation
  • Affiliation unknown
  • Thicker line = more joint articles · bigger circle = more articles
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Co-authorOrganisationJoint articles
Shanti ListyawatiAffiliation unknown2
Akhyar AbdullahUniversitas Halu Oleo1
Sahrun SahrunAffiliation unknown1
Pitrah AsfianAffiliation unknown1
Ridha NirmalasariAffiliation unknown1
Agus WahyudinAffiliation unknown1
Andi AgusniatihAffiliation unknown1
Wulan Suci Eka HandayaniAffiliation unknown1
Sita AwalunisaAffiliation unknown1
Amrullah AmrullahAffiliation unknown1
Baharina BaharinaAffiliation unknown1
Florensia Syntesa HarytaAffiliation unknown1
Agung Rorhi PrayudhaAffiliation unknown1
Putri Delvina SariAffiliation unknown1
Fitria FitriaAffiliation unknown1
Anizar AhmadAffiliation unknown1
Siti MaryamAffiliation unknown1
Nurbaiti NurbaitiAffiliation unknown1
Rosmala DewiAffiliation unknown1
izzatul jannahAffiliation unknown1
Rahmayanti RahmayantiHasanuddin University1
Siti HadijahAffiliation unknown1
Edy SetyawanAffiliation unknown1
Yenni KurniawatiAffiliation unknown1
Lisa UtamiAffiliation unknown1
Sugiarto SugiartoUniversity of Pembangunan Nasional Veteran Jawa Timur1
Astri PurwantiAffiliation unknown1
Brian WasitaAffiliation unknown1
Tantri Febriana PutriAffiliation unknown1
Fista UtamiAffiliation unknown1
Alfian Abdul RajabAffiliation unknown1
SajidanAffiliation unknown1
Bambang PurwantoAffiliation unknown1
Hafi NurinasariAffiliation unknown1
Didik T SubektiAffiliation unknown1
Anantha SenaAffiliation unknown1

Affiliations come from OpenAlex; journal OAI-PMH metadata carries none. Authors without an OpenAlex ID are matched by name, which can merge or split people.

Metadata source: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/journals/kemas/oai, first harvested 6 Nov 2026, last seen 8 Nov 2026.
Original metadata (oai_dc) 
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	<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>