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All Journal Jurnal Periodic Jurusan Kimia UNP Jurnal Penelitian Pendidikan IPA (JPPIPA) MASALIQ: Jurnal Pendidikan dan Sains Entalpi Pendidikan Kimia
Alizar Ulianas
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Religion Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Education Energy Materials Science & Nanotechnology Physics Social Sciences

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Potensi Senyawa Bioaktif Pegagan (Centella asiatica) sebagai Antigastritis melalui Pendekatan In Silico Tabitha Oschika Putri; Alizar Ulianas
MASALIQ Vol 6 No 4 (2026): JULI
Publisher : Lembaga Yasin AlSys

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58578/masaliq.v6i4.10656

Abstract

Gastritis is an inflammatory disorder of the gastric mucosa with a high prevalence in Indonesia and worldwide, while the long-term use of proton pump inhibitor drugs, such as Omeprazole, has the potential to cause side effects, making safer natural alternatives necessary. This study aims to evaluate the antigastritis potential of ten phytochemical compounds of Centella asiatica through an in silico approach using the molecular docking method against the H⁺/K⁺-ATPase target (PDB ID: 3IX3). This study included protein preparation, ligand preparation, docking validation through redocking, molecular docking analysis, and ADMET prediction using AutoDock Vina, SwissADME, and ProTox-II. The results show that asiaticoside, quadranoside, madecassic acid, and epicatechin had good binding affinity and stable interactions at the active site of the protein. Several compounds also showed good pharmacokinetic and toxicity profiles. The conclusion of this study affirms that the phytochemical compounds of Centella asiatica have potential as candidates for natural antigastritis agents through the mechanism of inhibiting the H⁺/K⁺-ATPase target. The implications of this study provide an initial basis for the development of natural product-based drug candidates and open opportunities for further research through in vitro and in vivo tests to validate their effectiveness and safety.
Co-Authors Ananta Nazira Meliano Aulia Safrika Hary Sanjaya Intan Nofita Sari Mawardi Anwar Mawardi Mawardi Minda Azhar Nadya Alexandra Okta Suryani Rafiqa Khaira Rajab Miko Reggyna Putri Januari Reni Reni Reza Akmar Srifu Rahmawita Tabitha Oschika Putri Umar Kalmar Nizar Yami Suca