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EXPLORATION OF CHITINOLYTIC MICROORGANISMS FROM SEAWATER AS ANTI-CANDIDIASIS AGENTS USING FUNCTIONALIZED CHITIN SUBSTRATE DERIVED FROM GREEN MUSSEL WASTE Adnyanaschah, Rahadhyan; Ismail, Dzava Prawinsyah Fairus; Mahardika, Bintang Satrio; Putri, Yolla Adellia; Shafa, Nafis; Rostinawati, Tina
Jurnal Ilmiah Farmako Bahari Vol 16 No 1 (2025): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v16i1.41855

Abstract

Candidiasis is a Candida sp. infection (Candida albicans in common) that happens in nails, hairs, skin, and oesophagus, with around 20-25% prevalence in Indonesia. Chitin is one of the main components of its cell wall and serves as a target for candidiasis therapy using natural degradant compounds, such as chitinase enzyme. Chitinase enzyme is collected from chitinolytic bacteria found massively in chitin-rich environments like seawater. The screening is needed to identify the varieties of bacteria with chitinolytic activity. The screening was done using green mussel waste (Perna viridis), which contains 14-35% chitin and reached 10.776,75 tons of trash in 2020. This research aims to get a chitinolytic bacteria using green mussels as a chitin substrate source and a chitinolytic bacteria with anti-candidiasis activity. This research was conducted by isolating chitin from green mussel shells, chitinolytic bacteria screening, and anti-candidiasis activity test. Results collected from 5.00, 5.08, and 5.18 km isolates were the Vibrio alginolyticus, Vibrio neocaledonicus, and Marinobacter persicus species, which had a chitinolytic index of 1.246, 1.560, 1.492 also 64.29; 61.30; 69.01 U/ml chitinase enzymatic activity. The highest anti-candidiasis activity was found in a sample 5,18 km from the coast of Kejawanan Beach based on the number of chitinase enzyme activity and the chitinolytic index.  
Uncovering Anti-Obesity Candidates from Robusta Green Coffee: In Silico Evaluation of Bioactive Compounds Targeting PPAR-α Mahardika, Bintang Satrio; Putri, Viona Algesia Fiola; Putri, Yolla Adellia; Jasimah, Jasimah; Gabriel, Kevin; Rusdin, Agus; Novitasari, Dhania
Journal of Pharmaceuticals and Natural Sciences Vol. 2 No. 3 (2025): J. Pharm. Nat. Sci.
Publisher : B-CRETA Publisher (CV. Borneo Citra Kreatama)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70392/jpns.v2i3.40

Abstract

Obesity arises from a chronic imbalance between energy intake and expenditure, leading to excessive accumulation of body fat. Peroxisome proliferator-activated receptor-alpha (PPARα) plays a key regulatory role in lipid metabolism, particularly in reducing the de novo synthesis of fatty acids. Robusta coffee has been widely consumed as part of the lifestyle, yet scientific evidence for its pharmacological effects is limited. This study aimed to evaluate the molecular interactions between secondary metabolites from Green Bean Coffee Robusta (Coffea canephora P.) and PPARα using in silico approaches. The workflow included screening compounds from C. canephora based on Lipinski’s Rule of Five (RO5) and ADMET predictions, followed by pharmacophore modelling and molecular docking simulations using AutoDock against PPARα (PDB ID: 2P54). All the bioactive constituents in C. canephora met the requirements of RO5, and several metabolites were assessed based on their pharmacokinetic profile and toxicology prediction. Further molecular docking analysis identified 4-ethyl-2-methoxyphenol as the most promising anti-obesity candidate, demonstrating the lowest binding energy (-4.58 kcal/mol) and an inhibition constant of 440.47 µM. The compound formed key hydrogen bonds with amino acid residues ALA333, THR279, CYS276, and CYS275. These findings suggest that 4-ethyl-2-methoxyphenol from Green Bean Coffee Robusta exhibits potential as an anti-obesity agent through its interaction with the PPARα receptor. Further in vitro and in vivo studies are required to validate its pharmacological effects.
The Bioactive Constituents of Piper aduncum L. as Estrogen Receptor-α Inhibitors: in silico studies Shafa, Nafis; Lathifah, Salma Sri; Alifa, Zahra; Syahid, Muhammad; Ismail, Dzava Prawinsyah Fairus; Mahardika, Bintang Satrio; Novitasari, Dhania
Indonesian Journal of Biological Pharmacy Vol 5, No 3 (2025): IJBP (Desember)
Publisher : Department of Biological Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijbp.v5i3.69270

Abstract

Wild betel (Piper aduncum L.) is a traditional medicinal plant with reported anticancer potential, particularly against breast cancer. Breast cancer remains a leading cause of cancer-related mortality worldwide, largely driven by estrogen receptor alpha (ERα)–mediated tumor growth. This study aimed to evaluate the potential of bioactive compounds from P. aduncum as ERα inhibitors using an in silico approach. Twenty compounds identified from P. aduncum were assessed for drug-likeness and ADMETox properties, followed by pharmacophore modeling and molecular docking against ERα. Phlorizin, linalool, and phloretin exhibited the highest pharmacophore fit scores, with the optimal model demonstrating strong predictive performance (AUC = 0.95). Among these compounds, phlorizin showed the strongest binding affinity for ERα (−10.38 kcal/mol), with a predicted inhibition constant of 24.77 µM, forming key interactions with GLU353, ALA350, and LEU525, comparable to those of the reference ligand 4-hydroxytamoxifen. Overall, these findings indicate that P. aduncum–derived compounds, particularly phlorizin, phloretin, and linalool, are promising ERα inhibitor candidates and merit further experimental validation for breast cancer therapy.