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All Journal Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Indonesian Journal of Cancer Chemoprevention Jurnal Kartika Kimia Jurnal Ilmiah Farmako Bahari Indonesian Journal of Biological Pharmacy Jurnal Penelitian dan Pengabdian Kepada Masyarakat (JPPM)
Ismail, Dzava Prawinsyah Fairus
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Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Medicine & Pharmacology Social Sciences

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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.  
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.
Molecular Docking and ADMET Analysis of Flavonoid Compounds from Bajakah Tampala Stem (Spatholobus littoralis Hassk.) Targeting VEGFR-2 and c-MET Ismail, Dzava Prawinsyah Fairus; Shafa, Nafis; Pendy, Violent Irene; Devon, George Patrick; Yun, Yenny Febriani
Jurnal Kartika Kimia Vol 8 No 2 (2025): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, University of Jenderal Achmad Yani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/jkk.v8i2.982

Abstract

Cancer is a condition marked by abnormal and uncontrolled cell growth, with VEGFR-2 and c-MET receptors contributing to tumor angiogenesis, metastasis, and resistance to therapy. Bajakah tampala stem (Spatholobus littoralis Hassk.) is a traditional plant from Kalimantan that is rich in flavonoid compounds that may interact with these molecular targets. This study aimed to evaluate the molecular interactions, drug-likeness, and pharmacokinetic properties of Bajakah flavonoid compounds through in silico approaches. Lipinski's rule of five and ADMET predictions indicated favorable drug-likeness and absorption profiles for most compounds, although some displayed moderate intestinal absorption and potential mutagenicity. Among the evaluated compounds, hesperetin showed the most favorable predicted binding affinity toward VEGFR-2 (binding energy -9.57 kcal/mol; predicted Ki 97.00 nM), while apigetrin demonstrated the lowest predicted binding energy toward c-MET (-9.43 kcal/mol; predicted Ki 122.94 nM). Both compounds exhibit interactions comparable to reference drugs cabozantinib and crizotinib, suggesting their potential as natural lead compounds for anticancer therapy. Further in vitro and in vivo studies are warranted to confirm their efficacy and safety.
Targeting Androgen Receptor with Boesenbergia rotunda Phytoconstituents: A Computational-based Perspective Najla Yasmintia Widarso; Ari Anggi Mahwati; Irene Ivory Sibuea; Dzava Prawinsyah Fairus Ismail; Bintang Satrio Mahardika; Dhania Novitasari
Indonesian Journal of Cancer Chemoprevention Vol 16, No 1 (2025)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev16iss1pp29-43

Abstract

Prostate cancer is characterized by abnormal cell proliferation within the prostate gland, driven in part by the activation of androgen receptor (AR) upon binding with testosterone. The receptor, therefore, represents a critical therapeutic target in prostate cancer management. Boesenbergia rotunda or fingerroot (or temu kunci in Indonesia), a medicinal plant widely used in traditional medicine, has been reported to exhibit diverse pharmacological activities, including anticancer effects. However, despite these promising bioactivities, no molecular level or computational studies have been conducted to explore its interaction with AR. In this study, the anticancer potential of eighteen secondary metabolites from B. rotunda rhizome was investigated in silico against the AR to identify new therapeutic candidates. The test ligands were evaluated for their physicochemical properties in accordance with Lipinski’s rule of five, ADME/Tox predictions, pharmacophore screening, and molecular docking, in comparison with the reference drug bicalutamide. Among the evaluated compounds, boesenbergin A demonstrated the strongest binding affinity to AR, with a binding energy of –11.89 kcal/ mol and an inhibition constant of 1.92 nM. Importantly, boesenbergin A engaged amino acid residues, including TRP: 741, like bicalutamide, indicating comparable binding interactions. These findings suggest that boesenbergin A holds substantial promise as a natural anticancer lead compound targeting the AR and warrants further investigation as a potential therapeutic agent for prostate cancer.Keywords: Boesenbergia rotunda, boesenbergin A, prostate cancer, in silico.
Exploration of Multitarget Anti-Breast Cancer Potential of Selected Flavonoids Through Network Pharmacology and Molecular Docking Dewanto, Nisriinaa Ayu; Nyratri, Btari Kalisha; Junus, Reneta Aisyah Maulina; Ismail, Dzava Prawinsyah Fairus; Hadisaputri, Yuni Elsa
Indonesian Journal of Biological Pharmacy Vol 6, No 1 (2026): IJBP (April)
Publisher : Department of Biological Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijbp.v6i1.69730

Abstract

Breast cancer remains a leading cause of mortality among women worldwide, including in Indonesia. Although current therapies such as chemotherapy, radiotherapy, and hormone therapy have improved patient outcomes, their effectiveness is frequently limited by systemic toxicity and multidrug resistance. In this study, the therapeutic potential of six natural flavonoid compounds was evaluated using a computational biology approach. Network pharmacology analysis identified estrogen receptor (ER-ɑ) (PDB ID: 3ERT), anti-apoptotic protein (BCL-2) (PDB ID: 6GL8), and DNA repair enzyme (PARP1) (PDB ID: 4R6E) as key molecular targets involved in breast cancer progression. The compounds were assessed through molecular docking, Lipinski’s Rule of Five, and absorption, distribution, metabolism, excretion, and toxicity (ADME-Tox) predictions to identify promising candidates with favorable pharmacokinetic and safety profiles. Among the evaluated compounds, rutin and kaempferol exhibited the most favorable overall characteristics based on binding affinity and predicted toxicity. These findings provide preliminary computational evidence supporting the potential of these flavonoids as lead candidates for further development. Nevertheless, experimental validation through molecular dynamics and biological studies is required to confirm their therapeutic relevance.
In Silico Study of Black Garlic (Allium sativum) Against COX-2 in Anti-Inflammatory Therapy Riki Agustin Maulana; Alya Azzahra Ramadhani; Nafisa Shoya Ifara; Dzava Prawinsyah Fairus Ismail; Febby Pratama; Sabiq Salmandhiya Harits; Rina Fajri Nuwarda
Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati Vol 11, No 2 (2026): June 2026
Publisher : Universitas Atma Jaya Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24002/biota.v11i2.14292

Abstract

Cyclooxygenase-2 (COX-2) is an inducible enzyme involved in prostaglandin biosynthesis during inflammatory processes and represents an important therapeutic target for anti-inflammatory drug development. Black garlic (Allium sativum) contains bioactive compounds such as S-allyl cysteine (SAC), 5-hydroxymethylfurfural, and flavonols with reported anti-inflammatory potential. This study aimed to investigate the potential of black garlic-derived compounds as COX-2 inhibitors using an in silico approach. Twenty-four compounds were evaluated through Lipinski’s Rule of Five, ADMET prediction, ligand-based pharmacophore screening, and molecular docking using the COX-2 crystal structure (PDB ID: 3LN1), with celecoxib as the reference inhibitor. In contrast, 5-hydroxymethylfurfural demonstrated high intestinal absorption and strong pharmacophore similarity to celecoxib, although its binding affinity was comparatively low. Flavonols showed the best docking performance, characterized by binding energy of −8.18 kcal/mol, high pharmacophore fit scores, and acceptable pharmacokinetic profiles. However, toxicity prediction suggested that both 5-hydroxymethylfurfural and flavonols may possess mutagenic and carcinogenic potential. Overall, flavonols and 5-hydroxymethylfurfural may warrant further investigation as potential COX-2-targeting compounds, although molecular dynamics, in vitro, and in vivo studies are needed to validate their activity and safety.
PENINGKATAN PEMAHAMAN MASYARAKAT KELURAHAN PAJAJARAN MENGENAI STUNTING DAN PEMANFAATAN KATUK SEBAGAI BISKUIT PENCEGAH STUNTING Wilar, Gofarana; Ismail, Dzava Prawinsyah Fairus; Nyratri, Btari Kalisha; Yani, Indri Widuri; Adzkia, Qonita; Rahmatullah, Alifa Aisyah; Putri, Najlaa Aaqila; Caiceriawati, Adela; Hafizha, Nazla Liyana; Putri, Aisya Novenia; Fahrunnisa, Salsabila
Jurnal Penelitian dan Pengabdian Kepada Masyarakat (JPPM) Vol 6, No 1 (2025): Jurnal Penelitian dan Pengabdian Kepada Masyarakat (JPPM)
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/jppm.v6i1.65414

Abstract

Stunting merupakan kondisi yang menggambarkan status gizi kurang yang memiliki sifat kronis pada masa pertumbuhan dan perkembangan anak. Hingga saat ini permasalahan stunting masih terjadi pada masyarakat termasuk Kelurahan Pajajaran, Kota Bandung. Salah satu solusi untuk mengatasi stunting adalah dengan meningkatkan asupan gizi yang seimbang pada anak, salah satunya melalui pemanfaatan bahan pangan lokal yang kaya nutrisi. Daun katuk (Sauropus androgynus L. Merr.) dikenal memiliki kandungan gizi yang tinggi, terutama protein dan vitamin yang dapat membantu mendukung pertumbuhan anak. Dalam rangka menanggulangi masalah stunting di Kelurahan Pajajaran, maka program pengabdian masyarakat ini bertujuan untuk mengedukasi masyarakat Kelurahan Pajajaran, terutama anggota Pemberdayaan dan Kesejahteraan Keluarga (PKK)  mengenai stunting dan asupan gizi seimbang serta pemanfaatan daun katuk sebagai bahan baku pembuatan biskuit bergizi. Kegiatan ini meliputi penyuluhan terkait stunting dan pencegahannya melalui bahan pangan bernutrisi, serta edukasi pembuatan biskuit katuk. Pemahaman masyarakat diukur melalui pre-test dan post-test yang diberikan oleh tim pengabdi. Melalui pre-test dan post-test, diketahui bahwa terjadi peningkatan pemahaman responden mengenai stunting dan potensi katuk sebagai bahan pangan pencegah stunting.
Co-Authors Adnyanaschah, Rahadhyan Adzkia, Qonita Alifa, Zahra Alya Azzahra Ramadhani Ari Anggi Mahwati Bintang Satrio Mahardika Caiceriawati, Adela Devon, George Patrick Dewanto, Nisriinaa Ayu Dhania Novitasari Dhania Novitasari Fahrunnisa, Salsabila Febby Pratama Gofarana Wilar Hafizha, Nazla Liyana Irene Ivory Sibuea Junus, Reneta Aisyah Maulina Lathifah, Salma Sri Mahardika, Bintang Satrio Muhammad Syahid Nafisa Shoya Ifara Najla Yasmintia Widarso Nyratri, Btari Kalisha Pendy, Violent Irene Putri, Aisya Novenia Putri, Najlaa Aaqila Putri, Yolla Adellia Rahmatullah, Alifa Aisyah Riki Agustin Maulana Rina Fajri Nuwarda Sabiq Salmandhiya Harits Shafa, Nafis Tina Rostinawati Yani, Indri Widuri Yenny Febriani Yun, Yenny Febriani Yuni Elsa Hadisaputri