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All Journal HAYATI Journal of Biosciences Biology, Medicine, & Natural Product Chemistry Jurnal Tumbuhan Obat Indonesia
Apsari, Cintya Nurul
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Earth & Planetary Sciences Medicine & Pharmacology Public Health

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Commercial Incense: Compound Analysis and Its Molecular Docking Studies as Anxiolytic Agents Apsari, Cintya Nurul; Ujiantari, Navista Sri Octa; Rohmah, Zuliyati; Utami, Setyowati Triastuti; Suma, Artania Adnin Tri; Gusnaniar, Niar
Biology, Medicine, & Natural Product Chemistry Vol 13, No 1 (2024)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2024.131.239-250

Abstract

In the context of Indonesian culture, incense has been traditionally utilized in various rituals. Incense possesses a calming impact and has the potential to reduce anxiety. This physiological response stems from the interplay of chemical components within incense and receptors associated with relaxation, specifically GABAA. This research aims to explore the interaction between substances found in commercially incenses with the GABAA receptors. The compounds of incense were identified through Gas Chromatography-Mass Spectrometry (GCMS) analysis. And there were 54 compounds identified from the 5 incense samples. Next, the ligands employed for docking studies were compounds predicted to traverse the blood-brain barrier (BBB). There were 31 compounds potential of crossing the blood-brain barrier (BBB). Docking results indicated that the majority of tested compounds exhibited notably lower S-scores during receptor interaction, suggesting their potential as anxiety-relieving agents. Furthermore, molecular docking outcomes highlighted that 9-Octadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester showed the lowest S-score (-6.573). These findings imply that odorant and other volatile organic compounds (VOCs) present in incenses possess the ability to function as anxiety-reducing (anxiolytic) agents, potentially assisting in anxiety treatment.
Pharmacophore mapping of Angiotensin Converting Enzymes (ACEs): Insight to Binding Site of ACE1 and ACE2 Ujiantari, Navista Sri Octa; Apsari, Cintya Nurul
Biology, Medicine, & Natural Product Chemistry Vol 13, No 2 (2024)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2024.132.337-341

Abstract

Angiotensin Converting Enzymes (ACEs) are carboxypeptidase enzymes involved in the renin-angiotensin system (RAS), which catalyze angiotensin I by cleavage of the peptide bond. ACE1 has been known as a target for antihypertensive drugs. Another homolog of ACE1, ACE2 has been popular since 2020 because this enzyme is responsible for the SARS-COV2 infection in the human body. Interestingly, it was found that ACE1 inhibitors did not inhibit ACE2. Hence, this study aims to elucidate the pharmacophore of ACE1 and ACE2 in order to understand the mechanism of these different inhibitions. Pharmacophore mapping was carried out using a pharmacophore query editor in the Molecular Operating Environment (MOE). The 3D structures of both enzymes bound to respective inhibitors were prepared and their pharmacophore features were extracted. Besides that, the similarity of both enzymes was analyzed by comparing their amino acid sequences using Align in Uniprot. In addition to pharmacophore mapping, the surfaces of both binding sites were analyzed to obtain a comprehensive evaluation. Results showed that both ACE1 and ACE2 contain nine and eight pharmacophore features, respectively. The amino acid residues of both enzymes were quite similar, especially in the active site. However, both ACE1 and ACE2 inhibitors showed different interactions even though both were well aligned. It was found because the functional groups of both inhibitors were slightly different as well as the active site size of both enzymes. Thus, this might result in different ability of ACE1 inhibitors to occupy the binding site of ACE2. These findings could provide useful information in the design of new selective ACE1 compounds as well as ACE2 compounds.
Potential of Secondary Metabolites from Acriopsis liliifolia Leaves as a Tyrosinase Inhibitor: Docking Study Khoeriyah, Ni'matul; Wannawijaya, Nashwa Maheswari; Apsari, Cintya Nurul; Nuraini, Latifa
Jurnal Tumbuhan Obat Indonesia Vol. 17 No. 2 (2024): December 2024
Publisher : Universitas Tidar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31002/jtoi.v17i2.2246

Abstract

The demand of natural chemicals with high effectiveness and low side effects increases plant exploration, including in the cosmetic and pharmaceutical fields. Trend of skin-lightening products is in great demand, causing its development to overgrow. Acriopsis liliifolia is an orchid species commonly found in Java and its leaves contain many secondary metabolites, thus attracting attention to be studied its potential as a tyrosinase inhibitor to overcome hyperpigmentation. This study explores potential of secondary metabolites in A. liliifolia leaves as tyrosinase inhibitors through microchemical tests, secondary metabolite profiling with LC-HRMS, and docking study using MOE. The results of the microchemical test showed that this orchid contains flavonoid, phenolic, terpenoid, and alkaloid compounds. Secondary metabolite profiling with LC-HRMS produced 130 compounds, then 15 of the most potential compounds were selected. The docking study showed that prolylleucine had lowest S score of -8,738 kJ/mol, lower than native ligand, kojic acid. This indicates that prolylleucine has a significant binding affinity to tyrosinase enzyme receptor through twelve bonds on the active site of enzyme. Prolylleucine can be used as a lead compound for further testing. Keywords: Acriopsis liliifolia, secondary metabolites, leaves, tyrosinase inhibitor, molecular docking.
Potential of Secondary Metabolites from Acriopsis liliifolia Leaves as a Tyrosinase Inhibitor: Docking Study Khoeriyah, Ni'matul; Wannawijaya, Nashwa Maheswari; Apsari, Cintya Nurul; Nuraini, Latifa
Jurnal Tumbuhan Obat Indonesia Vol. 17 No. 2 (2024): December 2024
Publisher : Universitas Tidar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31002/jtoi.v17i2.2246

Abstract

The demand of natural chemicals with high effectiveness and low side effects increases plant exploration, including in the cosmetic and pharmaceutical fields. Trend of skin-lightening products is in great demand, causing its development to overgrow. Acriopsis liliifolia is an orchid species commonly found in Java and its leaves contain many secondary metabolites, thus attracting attention to be studied its potential as a tyrosinase inhibitor to overcome hyperpigmentation. This study explores potential of secondary metabolites in A. liliifolia leaves as tyrosinase inhibitors through microchemical tests, secondary metabolite profiling with LC-HRMS, and docking study using MOE. The results of the microchemical test showed that this orchid contains flavonoid, phenolic, terpenoid, and alkaloid compounds. Secondary metabolite profiling with LC-HRMS produced 130 compounds, then 15 of the most potential compounds were selected. The docking study showed that prolylleucine had lowest S score of -8,738 kJ/mol, lower than native ligand, kojic acid. This indicates that prolylleucine has a significant binding affinity to tyrosinase enzyme receptor through twelve bonds on the active site of enzyme. Prolylleucine can be used as a lead compound for further testing. Keywords: Acriopsis liliifolia, secondary metabolites, leaves, tyrosinase inhibitor, molecular docking.
Secondary Metabolite Profiling, In-Silico, and In Vitro Study of Acriopsis liliifolia Roots as Active Cosmetic Ingredients Wannawijaya, Nashwa Maheswari; Khoeriyah, Ni’matul; Apsari, Cintya Nurul; Nuraini, Latifa
HAYATI Journal of Biosciences Vol. 32 No. 5 (2025): September 2025
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.32.5.1109-1122

Abstract

Beauty and health are currently topics of the global trend. Secondary metabolites from natural sources have become increasingly important for their potential application in cosmetics. This study aims to investigate the potential of Acriopsis liliifolia roots (ALR) as a source of active cosmetic ingredients through secondary metabolite profiling, in silico, and in vitro analysis. A. liliifolia, a medicinally valuable orchid species, was selected due to its rich phytochemical content, which could offer beneficial properties for skin, such as skin-brightening effects. The roots of A. liliifolia were subjected to microchemical assay and metabolite profiling using Liquid Chromatography High-Resolution Mass Spectrometry (LC-HRMS) to determine the bioactive compounds. Additionally, the identified compounds were evaluated through molecular docking studies to assess their interactions with key skin-related enzymes, such as tyrosinase. In vitro studies were conducted to confirm the activity of secondary metabolites of A. liliifolia root on the inhibition of tyrosinase. Microchemical results showed that ALR is positive for phenolics and alkaloids. Metabolite profiling revealed the presence of 125 compounds, then 14 of the most potential compounds were selected. The docking studies exhibit that 1,3-dilinolenoylglycerol had the lowest S-score of -9.54 kJ/mol and lower than kojic acid, suggesting that 1,3-dilinolenoylglycerol has the potential to inhibit tyrosinase. The in vitro studies showed that A. liliifolia roots extract at 250 mg/ml can inhibit tyrosinase (150 U/ml) by 42.56%. However, further research is required to ascertain its potential effect and safety assessment of cosmetics.
Potential of Secondary Metabolites from Acriopsis liliifolia Leaves as a Tyrosinase Inhibitor: Docking Study Khoeriyah, Ni'matul; Wannawijaya, Nashwa Maheswari; Apsari, Cintya Nurul; Nuraini, Latifa
Jurnal Tumbuhan Obat Indonesia Vol. 17 No. 2 (2024): December 2024
Publisher : Universitas Tidar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31002/jtoi.v17i2.2246

Abstract

The demand of natural chemicals with high effectiveness and low side effects increases plant exploration, including in the cosmetic and pharmaceutical fields. Trend of skin-lightening products is in great demand, causing its development to overgrow. Acriopsis liliifolia is an orchid species commonly found in Java and its leaves contain many secondary metabolites, thus attracting attention to be studied its potential as a tyrosinase inhibitor to overcome hyperpigmentation. This study explores potential of secondary metabolites in A. liliifolia leaves as tyrosinase inhibitors through microchemical tests, secondary metabolite profiling with LC-HRMS, and docking study using MOE. The results of the microchemical test showed that this orchid contains flavonoid, phenolic, terpenoid, and alkaloid compounds. Secondary metabolite profiling with LC-HRMS produced 130 compounds, then 15 of the most potential compounds were selected. The docking study showed that prolylleucine had lowest S score of -8,738 kJ/mol, lower than native ligand, kojic acid. This indicates that prolylleucine has a significant binding affinity to tyrosinase enzyme receptor through twelve bonds on the active site of enzyme. Prolylleucine can be used as a lead compound for further testing. Keywords: Acriopsis liliifolia, secondary metabolites, leaves, tyrosinase inhibitor, molecular docking.
Co-Authors Artania Adnin Tri Suma Gusnaniar, Niar Khoeriyah, Ni'matul Khoeriyah, Ni’matul Navista Sri Octa Ujiantari Nuraini, Latifa Rohmah, Zuliyati Ujiantari, Navista Sri Octa Utami, Setyowati Triastuti Wannawijaya, Nashwa Maheswari