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All Journal Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Fitofarmaka Indonesia Jurnal Penelitian Kesehatan Suara Forikes Jurnal Farmasi Indonesia Jurnal Aisyah : Jurnal Ilmu Kesehatan Open Access Indonesian Journal of Medical Reviews Archives of The Medicine and Case Reports Medical Sains : Jurnal Ilmiah Kefarmasian Jurnal Etnofarmasi Journal of Health Management and Pharmacy Exploration (JOHMPE) International Journal of Global Sustainable Research Medical Sains : Jurnal Ilmiah Kefarmasian Jurnal Pharma Bhakta
R, Herowati
Fakultas Farmasi Universitas Setia Budi Jl. Let. Jend. Soetoyo, Mojosongo, Surakarta.
Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Veterinary Other

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Journal : JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA

 1 
Molecular Docking and Pharmacokinetic Studies of Moringa oleifera As Angiotensin-Converting Enzyme Inhibitors Hasan, Rahmawaty; Herowati, Rina
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 11 No. 1 (2024): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v11i12024.80-88

Abstract

Background: Hypertension in pregnancy is a vascular disorder that occurs before pregnancy or arises during pregnancy that there were 30% of cases of maternal death. Moringa oleifera's potential to lower blood pressure can be utilized as an alternative antihypertensive during pregnancy, minimizing the risk of preeclampsia. Objective: The purpose of this study was to determine the molecular target of Moringa oleifera is intended to optimize pharmacodynamic activity based on the interaction pattern of the compounds with the ACE inhibitor (PDB ID: 1O86). Methods: Molecular docking is carried out using Autodock 4.0 program (AutoDock Tools). Results: According to the binding energy value and ACE inhibitory interaction, a-Rhamnopyranosyl, b-Sitosterol, and Sinalbin are prospective Moringa oleifera compounds as alternative antihypertensive. These potential compounds can inhibit ACE with binding energy -8.23; -9.27; -9.14 kcal/mol. Pharmacokinetic predictions reported that the potential compounds are absorbed in the intestine and indicates as molecules are tightly bound to plasma proteins and, as well as CYP3A4 and CYP2C9 inhibitors. The prediction of toxicity indicates that the potential compounds are classified as drug-induced acute liver failure with low carcinogens. Conclusion: a-Rhamnopyranosyl, b-Sitosterol and Sinalbin can be suitable lead compounds for synthetic drugs for antihypertensive agents.
Network Pharmacology Approach to Acalypha indica L. and Plumbago zeylanica L. As Anti-Rheumatoid Arthritis Candidates Dini Afriliza; Rina Herowati; Ana Indrayati
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 11 No. 2 (2024): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v11i22024.204-218

Abstract

Background: Rheumatoid arthritis (RA) is a chronic autoimmune disease that can reduce quality of life. Currently, the goal of therapy is to achieve remission and prevent joint damage and disability. Acalypha indica L. and Plumbago zeylanica L. are known to be involved in rheumatoid pathogenesis. Objective: This study aimed to determine the compounds in Acalypha indica L. and Plumbago zeylanica L. that correlate with target proteins and anti-rheumatoid arthritis mechanisms. Methods: Plant compound data were collected from the KNApSAcK and IMPPAT databases, target protein data were collected using the KEGG pathway, validated using UniProt, and protein-protein interactions were analyzed using STRING. Target protein prediction using SwissTarget Prediction and SEA. Visualization of network pharmacology profiles using Cytoscape software based on the correlation between plant compounds and target proteins. Results: Acalypha indica L., which correlates with target proteins, contained quinine, gallotannin, 1,4 benzoquinone, chrysin, and kaempferol. For Plumbago zeylanica L., the compounds were vanillic acid, cinnamic acid, plumbagin, isoaffinetin, isoorientin, isovitexin, methylnaphthazarin, l-tryptophan, beta-sitosterol, stigmasterol, ficusin, suberosin, and quercetin 3-ol-rhamnoside. Conclusion: Network pharmacology visualization results showed that both Acalypha indica L. and Plumbago zeylanica L. correlated with disease target proteins in their respective rheumatoid arthritis signaling pathways.
Analysis of Molecular Docking and Dynamics Simulation of Mahogany (Swietenia macrophylla King) Compounds Against the PLpro Enzyme SARS-COV-2 Lalu Sanik Wahyu Fadil Amrulloh; Nuraini Harmastuti; Andri Prasetiyo; Rina Herowati
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 10 No. 3 (2023): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v10i32023.347-359

Abstract

Background: Using natural ingredients as antivirals can be considered a treatment for SARS-CoV-2. One of the potential plants, mahogany (Swietenia macrophylla King), is widely used in various countries as an antiviral treatment. Paparin-like protease (PLpro) is an essential cysteine "‹"‹protease that regulates viral replication and interferes with the regulation of immune sensing. Objective: This study aims to predict which compounds in the mahogany plant have good affinity, patterns, and stability interaction against the target protein of SARS-CoV-2. Methods: The drug-likeness parameter using SwissADME was used to screen compounds that will be docked against PLpro using the Autodock program. The parameters observed in molecular docking analysis are the value of bond energy and interaction model to amino acid residues. The compounds in mahogany plants that have the best interactions were then analyzed using molecular dynamics simulation methods to determine the stability of their bonds based on the values of Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF). Results: Twenty-two compounds met the drug-likeness requirements. Molecular docking analysis showed that the compounds predicted to have the best binding affinity and have an interaction pattern similar to natural ligands towards the molecular target of PLpro are 7-deacetoxy-7-oxogedunin and 3β-hydroxy-stigmast-5-en-7-one. The molecular dynamics simulation results revealed that based on the RMSD and RMSF values, the compound 3β-hydroxy-stigmast-5-en-7-one showed higher stability than 7-deacetoxy-7-oxogedunin. Conclusion: 3β-hydroxy-stigmast-5-en-7-one and 7-deacetoxy-7-oxogedunin were predicted to have good interaction with PLPro; however, 3β-hydroxy-stigmast-5-en-7-one showed the higher interaction stability.
Co-Authors Ana Indrayati Andri Prasetiyo Dewi, Lucia Vita Inandha Dini Afriliza Dwi Ningsih, Dwi Eka Fitriani Franz June Navirius Gunawan Pamudji Gunawan Pamudji Widodo Harsono, Samuel Budi Harsono, Samuel Budi Hasan, Rahmawaty Ika Purwidyaningrum Kusniawati, Mega Ayu Lalu Sanik Wahyu Fadil Amrulloh M. Wahyu Ariawan Madyo Adrianto Nugroho Wisnu Putro NURAINI HARMASTUTI Okky Intan Mawarni Rifkarosita Putri Ginaris Rosa Juwita Hesturini Samuel Budi H Setiaji Wisnu Wardana TN Saifullah Sulaiman Tri Murti Andayani Widiastuti Widiastuti Widyasari, Meylinda Widyastuti, Lita Wisnu, M. Ari Wiwin Herdwiani