Potensi Senyawa Bioaktif Pegagan (Centella asiatica) sebagai Antigastritis melalui Pendekatan In Silico Potential of Bioactive Compounds of Gotu Kola (Centella asiatica) as Antigastritis through an In Silico Approach
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Page Numbers:
1632-1645
Digital Object Identifier:
10.58578/masaliq.v6i4.10656
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Authors:
Tabitha Oschika Putri1*, Alizar Ulianas2 
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Main Article Content
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.
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