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In Silico Investigation of γ-Sitosterol Isolated from the Ethanol Extract of Artocarpus camansi Leaves as a Sunscreen Agent Nasution, Rosnani; Azura, Rafna; Bahi, Muhammad; Maulydia, Nur Balqis; Bastian, Reza Akbar; Hilda, Michelia Mutiara; Marianne, Marianne
Indonesian Journal of Chemistry Vol 25, No 1 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.99792

Abstract

The activity test of sunscreen lotion from the ethanolic extract of Artocarpus camansi leaves was carried out. The activity of sunscreen lotion as sun protecting factor (SPF) is ranging from 28.716 ± 0.1557 to 29.740 ± 0.1360, while the SPF of pure compound is 28.483 ± 0.1422. The type of lotion is water in oil (w/o) with viscosity and pH values in the range of 3057.1–5001.1 cP and 6.86–7.89, respectively. The viscosity and pH values obtained were following the standard SNI 16-4399-1996. The value of dispersion is in the range of 4.60–6.90 cm, while the value of adhesion is in the range of 14.55–25.03 s. The pure compound is thought to be γ-sitosterol by analysis of its molecular weight similarity and positive ion fragment m/z with a melting point of 147 °C. From the molecular docking, it is known that γ-sitosterol has the highest binding affinity value of −7.4 and −8.2 kcal/mol to human neutrophile collagenase (PDB ID: 1BZS) and fibroblast collagenase-1 (PDB ID: 966C), respectively. The presence of active compounds in the ethanolic extract of A. camansi lotion can support the activity of the SPF so that it can be used as a sunscreen formula. 
Antibacterial Potential of Geothermal Plant Extracts from Jaboi Crater, Indonesia: A Thin Layer Chromatography-Bioautography Approach Khairan, Khairan; Mubaraq, Farhil; Maulydia, Nur Balqis; Awang, Khalijah; Idroes, Rinaldi
Malacca Pharmaceutics Vol. 3 No. 2 (2025): September 2025
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v3i2.312

Abstract

Antimicrobial resistance (AMR) poses an urgent global health concern, prompting the need for alternative therapeutic agents. This study evaluated the antimicrobial potential of ethyl acetate extracts from five medicinal plant species (Memecylon edule, Garcinia dioica, Syzygium sp., Memecylon caeruleum, and Aporosa octandra) collected from the geothermal Jaboi Crater in Aceh, Indonesia. Phytochemical profiling was performed using thin layer chromatography (TLC), and antimicrobial activity was assessed via TLC-bioautography against Escherichia coli, Staphylococcus aureus, and Candida albicans. The results revealed the presence of phenolic and terpenoid compounds, with antibacterial activity observed only against E. coli. No inhibition was detected against S. aureus or C. albicans. The study highlights the selective antimicrobial potential of geothermal plant extracts and underscores the relevance of bioautography as a rapid screening tool. While preliminary, these findings support further investigation into geothermal flora as a source of antibacterial compounds and call for advanced studies to isolate active constituents and explore their mechanisms of action.
Exploring the Medicinal Potential of Blumea balsamifera: Insights from Molecular Docking and Molecular Dynamics Simulations Analyses Maulydia, Nur Balqis; Khairan, Khairan; Tallei, Trina Ekawati; Salaswati, Salaswati; Musdalifah, Annisa; Nabila, Fiki Farah; Idroes, Rinaldi
Malacca Pharmaceutics Vol. 2 No. 1 (2024): March 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v2i1.168

Abstract

Blumea balsamifera from the Ie-Jue geothermal area in Aceh Province, Indonesia, has been reported to have a variety of secondary metabolites. However, there is limited information about the activity of these chemical metabolites from B. balsamifera. The aim of this study is to evaluate the therapeutic potential of these compounds using molecular docking and molecular dynamics simulations. Six selective compounds were thoroughly evaluated using molecular docking techniques for their inhibitory effects on both Coronavirus protease and human interleukin receptors. Additionally, druglikeness assessments based on the Lipinski rule of five were performed to evaluate these six ligands. Our results show that stigmasterol, a key component of B. balsamifera, has demonstrated low binding free energy values across four receptors. Furthermore, molecular dynamics simulations confirmed the stability of the top ligand-receptor complex, particularly stigmasterol-1IRA, based on five parameters, indicating its stability as an inhibitor. This research highlights the potential of stigmasterol as a therapeutic agent derived from medicinal plants of B. balsamifera and underscores the value of our molecular approach in identifying opportunities for pharmaceutical development.