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All Journal HAYATI Journal of Biosciences ACTA VETERINARIA INDONESIANA Jurnal Sain Veteriner Jurnal Veteriner Media Kedokteran Hewan ARSHI Veterinary Letters Pharmacoscript Pharma Xplore : Jurnal Sains dan Ilmu Farmasi Community Development Journal: Jurnal Pengabdian Masyarakat Indonesian Journal of Applied Research (IJAR) Jurnal Buana Farma Eduvest - Journal of Universal Studies Jurnal Veteriner dan Biomedis Current Biomedicine Indonesian Journal of Chemical Science
Madyastuti, Rini
Divisi Farmakologi Dan Toksikologi, Sekolah Kedokteran Hewan Dan Biomedis, IPB University, Bogor, Indonesia
Aerospace Engineering Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Earth & Planetary Sciences Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Medicine & Pharmacology Neuroscience Physics Public Health Social Sciences Veterinary

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Molecular Docking of the Bioactive Compound Physalis angulata as an Activator of Superoxide Dismutase 1 Wilujeng, Retno; Harlina, Eva; Purwono, Rini Madyastuti; Andrianto, Dimas
Indonesian Journal of Applied Research (IJAR) Vol. 6 No. 2 (2025): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v6i2.737

Abstract

Physalis angulata was known for its pharmacological potential, including antioxidant activity, yet the specific bioactive compounds responsible for enhancing endogenous antioxidant enzymes, such as superoxide dismutase 1 (SOD 1), remained unclear. This study aimed to identify and evaluate the active compounds of P. angulata as natural SOD 1 activators using an In silico molecular docking approach. Forty-nine ligands derived from the active constituents of P. angulata were screened based on Lipinski’s Rule of Five and ADMET properties. Molecular docking was performed using the SOD 1 protein (PDB ID: 5YTO), and docking validation yielded an RMSD value of 0.005 Å. Among the test ligands, withanolide exhibited the most favorable binding energy (−7.011 kcal/mol) and the lowest inhibition constant (7.0 pM), forming strong interactions with key catalytic residues of the enzyme. These findings indicated that withanolide had promising potential as a natural SOD 1 activator, providing a basis for future antioxidant drug discovery.
IN SILICO STUDY OF APIGENIN AND ITS DERIVATIVES AS POTENTIAL INHIBITORS OF TNF-Α AND MMP-9 FOR BURN WOUND HEALING Baharun, Rasyid; Rini Madyastuti, Purwono; Bayu Febram, Prasetyo; Vetnizah, Juniantito
Pharmacoscript Vol. 8 No. 1 (2025): Pharmacoscript
Publisher : Lembaga Penelitian dan Pengabdian Masyarakat, Universitas Perjuangan Tasikmalaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36423/pharmacoscript.v8i1.2062

Abstract

The prevalence of burns ranks fourth in trauma after traffic accidents, falls, and violence. The prevalence of burns ranks fourth in trauma after traffic accidents, falls, and violence. The healing of burn wounds results from a complex inflammatory response where pro-inflammatory cytokines, for instance, TNF-α and MMP-9, play a pivotal role. Flavonoids with strong anti-inflammatory activity are apigenin, this compound comes from plants. In this study, we evaluated apigenin and its derivatives to determine their effectiveness as burn wound healing agents using molecular docking modeling techniques. To evaluate the molecular docking of these compounds with their target proteins, we used computer-aided drug design tools such as AutoDock Vina, PyMOL, and Discovery Studio. The data showed that apigenin compounds have better affinity than natural ligands to inhibit MMP-9 which can increase the rate of the inflammatory phase of burn wound healing. These findings indicate that apigenin and its derivatives have good potential to be candidates in the development of new therapeutic interventions for burn wound healing.
Penatalaksanaan klinis tumor gastrointestinal pada seekor anjing rottweiler Tannya, Prieske; Isnaini, Nyimas Syifa Amira; Tarisa, Hasnah; Parameshtya, Sadhira; Nursaumawati, Siti; Vadivellan, Srivaen; Wibowo, Deny Setyo; Purwono, Rini Madyastuti
ARSHI Veterinary Letters Vol. 9 No. 3 (2025): ARSHI Veterinary Letters - August 2025
Publisher : School of Veterinary Medicine and Biomedical Sciences, Bogor Agricultural University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/avl.9.3.67-68

Abstract

Gastrointestinal neoplasia is an increasingly recognized condition in dogs, particularly in predisposed breeds, such as Rottweilers. A 4-year-old Rottweiler was presented by its owner to the Veterinary Teaching Hospital, School of Veterinary Medicine and Biomedical Sciences, IPB University, with clinical signs including coughing, dyspnea, lethargy, and intermittent yellow-brown, malodorous feces. Diagnostic evaluations revealed significant abnormalities in the respiratory and gastrointestinal systems. This report describes the clinical presentation, diagnostic approach, and management of a dog with suspected gastrointestinal neoplasia. The patient was provisionally diagnosed with gastrointestinal neoplasia with a poor prognosis. Although surgical intervention is generally recommended, the compromised pulmonary function of the dog precluded general anesthesia; therefore, management was limited to symptomatic and supportive therapy.
Systemic Anti-inflammatory Activity of American Cockroach (Periplaneta americana) Extract: A Molecular Docking Study Aritonang, Erfan Andrianto; Gunanti; Purwono, Rini Madyastuti; Supriyono
Media Kedokteran Hewan Vol. 35 No. 2 (2024): Media Kedokteran Hewan
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/mkh.v35i2.2024.105-112

Abstract

Surgery can trigger systemic inflammatory response syndrome. This study aims to determine the effectiveness of Periplaneta americana cockroach extract as an oral systemic anti-inflammatory agent using molecular docking. The molecular docking method consisted of five steps. The first step was preparing the TNF-α converting enzyme (TACE) receptor as a native ligand, dexamethasone as a control ligand, and three test ligands of Periplaneta americana cockroach extract. The second step was docking preparation. The third step was analyzing Gibbs free energy (∆G) and root mean square deviation (RMSD). The fourth step was docking the test and control ligands with TACE. The fifth step was analyzing ∆G, inhibition constant (Ki), visualization of two- and three-dimensional interactions, percentage of binding site similarity (%BSS), and the rule of five (Ro5) on test ligands. The ∆G results for the native, control, and test ligands 1, 2, and 3 were -12.8, -7.1, -7.7, -6.9, and -9.0 kcal/mol, respectively. The Ki values for the native, control, and test ligands 1, 2, and 3 were 4.091, 6.205, 2.253, 9.521, and 2.507 µM, respectively. The results of the Ro5 analysis suggested that the three test ligands satisfied Lipinski's rule of five. This study concluded that Periplaneta americana cockroach extract is an effective oral systemic anti-inflammatory agent.
Studi Kasus: Terapi Prostatitis Disertai Urolithiasis pada Anjing Lokal Diaz, Fariz Arrachman; Nurdiansyah, Rio Dwi Haryadi; Bachmid, Salma Safitri; Mufida, Anis Arifatu; May, Ng U; Purwono, Rini Madyastuti; Fitri, Arni Diana; Budiono, Novericko Ginger; Prasetyo, Bayu Febram; Sutardi, Lina Noviyanti; Anisa, Rahma
Jurnal Veteriner dan Biomedis Vol. 2 No. 1 (2024): Maret
Publisher : Sekolah Kedokteran Hewan dan Biomedis

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jvetbiomed.2.1.43-47.

Abstract

Prostatitis pada anjing dapat disertai dengan urolithiasis. Keduanya dapat disebabkan oleh adanya infeksi bakteri yang masuk melalui saluran kemih. Anjing bernama Momo yang merupakan pasien RSHP IPB University datang dengan keluhan stranguria, hematuria, muntah, dan susah makan di malam sebelumnya. Pemeriksaan dilakukan dengan pemeriksaan fisik dan pemeriksaan penunjang ultrasonography (USG). Hasil pemeriksaan menunjukkan bahwa Momo menderita urolithiasis disertai prostatitis. Sediaan Cefixime, Batugin® Elixir, Meloxicam, Glucosamine, Asam Traneksamat, dan pakan Royal Canin Urinary® diberikan sebagai penanganan. Kumpulan sediaan tersebut diberikan dalam rangka terapi kausatif dan simptomatik dari kasus urolithiasis disertai prostatitis.
Frekuensi Penggunaan Obat Antifungal di Salah Satu Klinik Hewan di Kabupaten Bogor pada Tahun 2020 - 2022 Prasetyo, Bayu Febram; Purwono, Rini Madyastuti; Wulandari, Nenis Rahma; Hikmarizky, Firda
Jurnal Sain Veteriner Vol 42, No 2 (2024): Agustus
Publisher : Faculty of Veterinary Medicine, Universitas Gadjah Mada bekerjasama dengan PB PDHI

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jsv.90442

Abstract

Dermatofitosis adalah penyakit kulit yang disebabkan oleh kapang dermatofita dan umum terjadi pada hewan peliharaan seperti anjing dan kucing. Penyakit ini bersifat zoonosis dan mudah terjadi di lingkungan dengan kelembaban yang tinggi. Penanganan dermatofitosis salah satunya dengan pemberian obat antifungal. Penelitian ini bertujuan mengetahui frekuensi jumlah penggunaan obat antifungal terbanyak untuk kasus dermatofitosis di klinik hewan objek penelitian. Penelitian dilakukan secara deskriptif dengan menggunakan 71 data rekam medis pasien yang terinfeksi dermatofita. Hasil penelitian menunjukkan obat antifungal yang digunakan untuk kasus dermatofitosis sebanyak 19 kali penggunaan ketoconazole, 40 kali penggunaan itraconazole, 6 kali penggunaan griseofulvin, dan 6 kali penggunaan salep racikan. Berdasarkan hasil penelitian, itraconazole adalah obat antifungal yang paling banyak digunakan untuk penanganan kasus dermatofitosis di klinik hewan tersebut.
In Silico Study of Antioxidant Compounds in Ipomoea aquatica Forsk as Acetylcholinesterase (AChE) Enzyme Inhibitor in Alzheimer’s Disease Nugraha, Salma E.P; Rini Madyastuti Purwono
Indonesian Journal of Chemical Science Vol. 14 No. 3 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i3.18022

Abstract

Alzheimer’s Disease is a form of dementia characterized by a progressive decline in cognitive function, encompassing various aspects of intellectual abilities. Acetylcholinesterase (AChE) is an enzyme that degrades the neurotransmitter acetylcholine and plays an important role in regulating neurotransmission at synapses across the nervous system. Disruption of this cholinergic transmission significantly impacts the development of Alzheimer's disease. Compounds with AChE inhibitory activity are known to be promising drug candidates for treating this disease. In this study, an in-silico analysis was conducted on antioxidant compounds, specifically carotenoid compounds from Ipomoea aquatica Forsk, to determine whether these compounds could be potential drug candidates for Alzheimer's treatment using molecular docking methods. The 3D structure of the Acetylcholinesterase (AChE) receptor was obtained from the Protein Data Bank, while the structure of the carotenoid compounds was obtained from the PubChem database. The software used for the molecular docking simulation was AutoDock Vina, with additional supporting software such as AutoDockTools 1.5.6, PyMOL, and LigPlot. The analysis results showed that β-carotene is the best antioxidant, with binding energy and inhibition constant values of -10.2 kcal/mol and 20.06 μM, respectively, with hydrogen bonding occurring at the amino acid residue PHE 295.
The In Silico Toxicity of Serai Wangi (Cymbopogon nardus) and Mimba (Azadirachta indica anggraeni, Henny endah; Purwono, Rini Madyastuti; Sutardi, Lina Noviyanti; Mustika, Aulia Andi; Manalu, Wasmen; Andriyanto, Andriyanto
Acta VETERINARIA Indonesiana Vol. 13 No. 3 (2025): November 2025
Publisher : IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/avi.13.3.278-285

Abstract

Natural active-ingredient-based shampoos offer an effective and eco-friendly solution for maintaining the skin and hair health of companion animals. This study aimed to predict the toxicity of phytochemical compounds from citronella oil (Cymbopogon nardus) and neem oil (Azadirachta indica) using an in silico approach with the ProTox-II platform. The analyzed compounds included limonene, farnesene, eucalyptol, menthol, oleic acid, p-cymene, indole, (9Z)-9- octadecenamide, amylbenzene, p-cresol, camphor, and dieugenol, selected based on LC-MS/MS analysis. The evaluated toxicological parameters comprised oral acute toxicity (LD50), hepatotoxicity, immunotoxicity, genotoxicity (cytotoxicity, mutagenicity, carcinogenicity), as well as nuclear receptor signaling and stress response pathways. The results revealed that p-cymene exhibited the highest toxicity (LD50 = 3 mg/kg, class I), followed by oleic acid (LD50 = 48 mg/kg, class II), whereas amylbenzene was classified as non-toxic (LD50 = 6430 mg/kg, class VI). All compounds were predicted to be non-hepatotoxic and non-immunotoxic; however, p-cymene, indole, and amylbenzene showed potential carcinogenicity. Limonene was predicted to be active against AhR, ER, MMP, and ATAD5 receptors, while dieugenol was active against nrf2/ARE, HSE, and MMP. These predictions suggest that most compounds are safe for shampoo applications, except for p-cymene, which requires further evaluation. This study provides preliminary insights for the development of safe and effective natural-based shampoos.
Co-Authors A.S. Satyaningtijas Andriyanto Andriyanto ANGGARA ALDOBRATA Anggraeni, Henny Endah Anisa Rahma, Anisa Anisa, Rahma Anita Esfandiari Aritonang, Erfan Andrianto Aulia Andi Mustika Bachmid, Salma Safitri Baharun, Rasyid Bambang Pontjo Priosoeryanto Bayu Febram Prasetyo Bayu Febran Prasetyo Budiono, Novericko Ginger Daniel Happy Putra Dea Khalissa Anidya Deny Setyo Wibowo Dian Firnanda Diaz, Fariz Arrachman DIMAS ANDRIANTO Erni H Purwaningsih Erni H Purwaningsih Eva Harlina Fadiela Salima Putri Farhamzah Fitri, Arni Diana Gunanti Hadiyanti, Cresensia Rara Hikmarizky, Firda IETJE WIENTARSIH Ikrar Trisnaning Hardi Utami Indah Kurnia Klara Isnaini, Nyimas Syifa Amira Joko Pamungkas Khoirun Nisa Kusumawati, Nina Tri LAKSMI AMBARSARI Lina Novianti Sutardi Lina Novianti Sutardi, Lina Novianti Lina Noviyanti Sutardi Maharani, Alya Rizqi May, Ng U Mufida, Anis Arifatu Muhammad Agung Nulhakim Nabila Nur Nafiati Nina Kusumawati Nina Tri Kusumawati Nisa, Nunik Nida Choerun Nugraha, Salma E.P Nugroho, Radhitya Aryo Nurdiansyah, Rio Dwi Haryadi Nurhidayat Nurhidayat Nurkarimah, Dona Astari Nursaumawati, Siti Parameshtya, Sadhira Pudji Achmadi Putri, Fadiela Salima Rasyid, Baharun Riki Siswandi Rizal Arifin Akbari Saragih, Adrian Sa’diah, Siti Setyo Widodo Setyo Widodo Sugeng Santoso SUPRIYONO Supriyono, Supri Tannya, Prieske Tarigan, Ronald Tarisa, Hasnah TATI NURHAYATI Trioso Purnawarman Vadivellan, Srivaen Vetnizah Juniantito Wasmen Manalu Wilujeng, Retno Wulandari, Nenis Rahma