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Journal : Borneo Journal of Pharmacy

In Silico Analysis of the Antigastritis Activity of Gedi (Abelmoschus manihot) Flower Flavonoids on H2 Receptor Adikila, Gregorius Giani; Hariyanto, Yuanita Amalia; Tallei, Trina Ekawati; Suoth, Elly Juliana; Sudewi, Sri; Fatimawali, Fatimawali
Borneo Journal of Pharmacy Vol. 8 No. 3 (2025): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v8i3.7586

Abstract

Gastritis remains a highly prevalent health concern in Indonesia, underscoring a continuous demand for innovative therapeutic interventions. The flower of Abelmoschus manihot, commonly known as Gedi, has garnered interest for its potential antigastritis properties, specifically as an H2 antagonist, attributed to its rich flavonoid content. This study aimed to rigorously evaluate the H2 antagonist potential of A. manihot flowers using an in silico approach. Our research methodology involved assessing the physicochemical and pharmacokinetic profiles, alongside molecular docking simulations, of ten prominent flavonoid ligands identified in A. manihot flowers: quercetin, myricetin, myricetin-3-O-glucoside, myricetin-3'-O-glucoside, quercetin-3'-O-glucoside, hibifolin, isoquercetin, hyperoside, quercetin-3-O-robinobioside, and rutin. The analysis of physicochemical and pharmacokinetic properties encompassed Lipinski's Rule of Five and comprehensive ADMET predictions. Molecular docking simulations focused on evaluating binding energies and interactions with crucial H2 receptor residues: Asp98, Asp186, Val99, and Phe254. Among the ligands being assessed, quercetin demonstrated the most favorable physicochemical-pharmacokinetic characteristics and exhibited superior binding affinities and interactions in the molecular docking analysis. These findings collectively suggest that A. manihot flower holds significant promise as a natural source for antigastritis agents, specifically through its potential H2 antagonist activity, with quercetin emerging as a key contributing compound.
Co-Authors AA Sudharmawan, AA Abdullah, Fatamorgana Abdullah, Rezky Putri Indarwati Abdullah, Surya Sumantri Adikila, Gregorius Giani Adithya Yudistira Angellia Grace Yetto Antasionasti, Irma Aryani Tampi Astrid Maulani Runtukahu Axl Laurens Lukas Windah Billy Johnson Kepe Datu, Olvie Syenni Datu, Ronald Joy DEBY AFRIANI MPILA Defny S. Wewengkang Defny S. Wewengkang, Defny S. Defny Wewengkang Dolongtelide, Jeclin Inebel Edwin de Queljoe ERLADYS MELINDAH RUMONDOR, ERLADYS MELINDAH Fatimawali Fatimawali . Fatimawali Fatimwali Fenezia Yosevina Lumempow Fitriawati Tongkali Frenly Wehantouw Frenly Wehantouw Gabriel Tikulembang Gosal, Angel T. Gultom, Minar N. S. Hariyanto, Yuanita Amalia Henki Rotinsulu, Henki Herni E.I Simbala Herny E.I. Simbala Hindang Kaempe Hosea J. Edy, Hosea J. Hosea Jaya Edy Hotmian, Ellen Irma Antasionasti Irma Antasionasti Irma Antasionasti Irma Febrianti Wahongan Josua, Endro Julianri Sari Lebang Julianri Sari Lebang, Julianri Sari Kalalo, Marko Jeremia Kamu, Priska Eliasa Karlah L. R. Mansauda Kindangen, Eunike Elizabeth Lomboan, Evander Roliand Manik, Grace Dien Manopo, Chintia M. Mansauda, Karlah Lifie Margaretha, Putri Maria Immaculata Tangkau Marko Jeremia Kalalo Meilani Jayanti Nikita Thalia Ayu Jati Nursafitri Syahrudin Olvi Datu Pamudji, Gunawan Paulina yamlean Paulina Yamlean Pehino, Albrita Pendong, Christa Hana Angle Purwoko, Agus Ratte, Titah Amelia Risma Situngkir Rumondor, Erladis Rumondor, Erladys M. Rundengan, Gerald Saerang, Missyeling Siboantua Broolin Simanjuntak Sitti Juliah Nurhamidin Sri Sudewi Sri Sudewi, Sri Tania, Adinda Dwi Tifani, Tifani Titah Amelia Ratte TRINA EKAWATI TALLEI Trina Ekawati Tallei Trina Tallei Trina Tallei Tumundo, Berlian Tasya Vibrila Berliana Djanas Wewengkang, Defny Silvia Widdhi Bodhi Widya Astuty Lolo