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Potensi Senyawa Nitazoxanide dan Arbidol sebagai Antivirus SARS-CoV-2 terhadap Reseptor NSP5 (7BQY dan 2GZ7) dan ACE2 (3D0G dan 1R4L) Ami Fini Faqiha; Yen Yen Ari Indrawijaya; Arief Suryadinata; Muhammad Amiruddin; Roihatul Mutiah
Journal of Food and Pharmaceutical Sciences Vol 10, No 1 (2022): J.Food.Pharm.Sci
Publisher : Institute for Halal Industry and System (IHIS) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.3393

Abstract

Nitazoxanide merupakan obat pro-drug untuk tizoxanide. Obat tersebut diketahui memiliki aktivitas antivirus pada MERS-CoV. Arbidol memiliki aktivitas antivirus pada H3N2 HA yang memiliki kesamaan struktur dengan SARS-CoV-2. Reseptor target spesifik untuk obat-obat Anti SARS-CoV-2 saat ini adalah NSP5 (Nonstructural protein) dan ACE2 (Angiotensin-converting enzyme 2). NSP5 memediasi replikasi dan transkripsi protein-protein virus sedangkan ACE2 sebagai fasilitator transport asam amino dan reseptor tempat terikatnya SARS-CoV maupun SARS-CoV-2. Tujuan penelitian ini adalah untuk mengetahui aktivitas antivirus SARS-CoV-2 dari senyawa Nitazoxanide dan Arbidol secara in silico. Senyawa Nitazoxanide dan Arbidol dipreparasi terlebih dahulu dengan melakukan pengunduhan kode PDB ID, penyiapan struktur 2D dan 3D, penentuan minimal energy, pembuatan kode SMILES serta prediksi sifat fisikokimia dan toksisitas. Setelah dipreparasi, dilanjutkan proses penambatan molekul menggunakan aplikasi PyRx-Vina®. Hasil docking dianalisis dengan perangkat lunak PyMOL® dan Discovery Studio Visualizer®. Hasil profil fisikokimia menunjukkan bahwa senyawa Arbidol dan Nitazoxanide telah memenuhi hukum Lima Lipinski dan masing-masing memiliki nilai LD50 sebesar 1350 mg/kg dan 340 mg/kg. Hasil penambatan senyawa uji dengan reseptor menghasilkan interaksi yaitu ikatan hidrogen, interaksi hidrofobik dan interaksi elektrostatik. Interaksi Nitazoxanide pada reseptor 2GZ7 serta Arbidol pada reseptor 3D0G dan 1R4L menunjukkan perbedaan yang signifikan masing-masing terhadap Lopinavir dan Chloroquine dengan nilai p < 0.05, sehingga senyawa tersebut diprediksi memiliki potensi antivirus lebih baik.
Qualitative Evaluation on the Use of Pneumonia Antibiotics for Covid-19 Patients at X Hospital Bali in 2020 Wirda Anggraini; Fitria Rahma Fauzia; Arief Suryadinata; Burhan Ma'arif; Ni Nyoman Sri Budayanti; Fransiska Rosari Dewi
Borneo Journal of Pharmacy Vol. 6 No. 3 (2023): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v6i3.2855

Abstract

Coronavirus disease-19 (Covid-19) is a pandemic that has caused various complications, including pneumonia. One of the therapies used in Covid-19 with pneumonia complications is antibiotics. Antibiotics must be used appropriately to prevent antibiotic resistance. A method to reduce the number of antibiotic resistances is evaluating the use of antibiotics qualitatively using the Gyssens method. Therefore, this study aims to describe the profile and rationality of using pneumonia antibiotics for adult Covid-19 patients at X Hospital from January to December 2020. The data was collected retrospectively on adult patients using the patient's medical record data, and the sample was determined using the purposive sampling technique. There were 117 samples of medical record data processed in this study. This study concluded that the use of antibiotics for patients with Covid-19 disease consisted of single antibiotic usage, i.e., azithromycin in 82 cases (70.09%), and levofloxacin in 30 cases (25.64%), and switched antibiotics usage, i.e., azithromycin to levofloxacin in 5 cases (4.27%). The rationality of using antibiotics using the Gyssens methods was 90.60% with rational or appropriate antibiotics use (category 0). Moreover, there was 9.40% irrational drug use (category I-VI), comprising antibiotics for a longer time than it should be, in 11 cases.
Efek Antiinflamasi Ekstrak dan Tablet Daun Kenitu (Chrysophyllum cainito L. ) pada Tikus Wistar (Rattus norvegicus) Ma'arif , Burhan; Sholekhah, Syafirda Arma'atu; Fuadi, Muhammad Nauval Nadhirul; Dianti, Meilina Ratna; Suryadinata , Arief; Maulina, Novia
FARMASIS: Jurnal Sains Farmasi Vol 5 No 1 (2024): Farmasis: Jurnal Sains Farmasi Vol 5. No. 1 (2024)
Publisher : Universitas PGRI Adi Buana, Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36456/farmasis.v5i1.8614

Abstract

Pendahuluan : Inflamasi pada persendian akibat kerusakan tulang rawan merupakan ciri dari osteoarthritis (OA). Osteoarthtritis adalah suatu penyakit degeneratif terkait dengan rendahnya kadar estrogen dalam tubuh. Senyawa fitoestrogen memiliki struktur yang sama seperti estrogen, sehingga fitoestrogen dapat menjadi alternatif dalam meredakan inflamasi pada OA. Daun kenitu (Chrysophyllum cainito L.) salah satu tanaman yang memiliki kandungan senyawa fitoestrogen. Tujuan: Untuk membuktikan ekstrak etanol 70 persen (EDC) dan tablet (TDC) yang diformulasikan dari daun C. cainito  dapat mengurangi efek inflamasi pada tikus wistar jantan. Metode: Aktivitas antiinflamasi EDC dan TDC  kemudian diuji pada tikus menggunakan metode edema kaki tikus yang diinduksi karagenan dengan dosis 4,05, 8,1, dan 16,2 mg tiap 200gBB tikus per hari untuk EDC, sedangkan untuk TDC 24,3, 48,6, dan 97,2 mg tiap 200gBB tikus per hari. Setelah pemberian masing-masing sampel selama 30 menit, tikus diinduksi secara subplantar dengan karagenan 1 persen  kemudian diamati edema pada telapak kaki tikus selama 6 jam.  Hasil: EDC dan TDC menunjukkan aktivitas antiinflamasi, dengan dosis optimal untuk EDC adalah 4,05 mg tiap 200gBB sedangkan, dosis optimal untuk TDC adalah 48,6 mg tiap 200gBB, sehingga menghasilkan persentase penghambatan edema pada tikus. Kesimpulan: Hasil tersebut menunjukkan bahwa CLE dan CLT mempunyai efek anti inflamasi sehingga berpotensi untuk dikembangkan sebagai obat alternatif anti OA.
Network Pharmacology and Component Analysis Integrated Study to Uncovers the Molecular Mechanisms of Lansium parasiticum Bark Extract in Colon Cancer Treatment Mutiah, Roihatul; Briliana, Malich Septi Diajeng; Ahmad, Ananda Rizkia Azizah; Fauziyah, Begum; Janaloka, Nandana Adyuta; Suryadinata, Arief
Science and Technology Indonesia Vol. 9 No. 2 (2024): April
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2024.9.2.314-324

Abstract

Side effects and risk of resistance are common consequences of colon cancer treatment based on chemotherapy. The medicinal plant originating in Indonesia, Lansium parasiticum bark extract (LPBE), has not been studied much. The purpose of this study is to identify the compounds present in LPBE and explain how the molecular mechanisms of the composite inhibit colon cancer cells. LC-MS/MS Liquid Chromatography Tandem Mass Spectrophotometry has been used to identify compounds in LPBE. The ADMET program is used to determine absorption profiles and bioavailability per oral. The tissue pharmacology approach uses Cytoscape 3.9.1, GeneCards, Disgenet, STRING 2.0.0, SRplot, and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway to predict the molecular anti-cancer mechanisms of these compounds. In vitro validation using PyRx Autodock Vina 9.0 and Biovia Discovery Studio with BAX (PDB ID:2YXJ), BCL2 (P DB ID:2W3L) and STAT3 receptors (PDB ID:6NJS). A total of 17 active compounds were identified through LC-MS/MS. The moronic acid compound showed the highest levels of 14.29% followed by 4-Morpholineacetic Acid 12.2% and ursolic aldehyde 8.37%. Pharmacological network analysis showed that the compounder works on the EGFR tyrosine kinase resistance path by targeting the BCL2, BAX, STAT3 genes. The results of the in silico validation support the results of tissue pharmacology findings. Ursolic aldehyde, and Moronic acid showed a higher affinity to the three receptors. Therefore, Lansium parasiticum bark extract (LPBE) is recommended for further study as a candidate anti-cancer drug both in vitro and in vivo.
Metabolite Profiling of 96% Ethanol Extract from Marsilea crenata Presl. Leaves Using UPLC-QToF-MS/MS and Anti-Neuroinflammatory Predicition Activity with Molecular Docking Burhan Ma’arif; Denis; Arief Suryadinata; Artabah; Hening Laswati; Mangestuti Agil
Journal of Tropical Pharmacy and Chemistry Vol. 4 No. 6 (2019): J. Trop. Pharm. Chem.
Publisher : Faculty of Pharmacy, Universitas Mulawarman, Samarinda, Indonesia, 75117, Gedung Administrasi Fakultas Farmasi Jl. Penajam, Kampus UNMUL Gunung Kelua, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jtpc.v4i6.213

Abstract

Phytoestrogen is a group of compounds that can replace the estrogen function in the body. One of its roles was as anti-neuroinflammatory by inhibiting the microglia M1 polarity activation. Marsilea crenata Presl. is a plant that suspected to contain phytoestrogens. The aim of this research was to determine the metabolite profile of 96% ethanol extract of M. crenata using UPLC-QToF-MS/MS, and prediction the anti-neuroinflammatory activity of compounds with molecular docking. The 100 ppm of 96% ethanol extract in DCM and methanol were injected 5 µl each into the UPLC-QToF-MS/MS, and then analyzed by Masslynx 4.1 software to determine the compounds. The result of metabolite profiling shows a total 59 compounds in both DCM and methanol. Molecular docking was done with Autodock 4.2.6. After being analyzed, there are 3 compounds that are predicted to have activities similar to 17?-estradiol, they are prochlorperazine, 12-Aminododecanoic acid, and 1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidaol-5-amine hydrochloride. The results showed that the three compounds were predicted to be phytoestrogen compounds from M. crenata leaves, which have potential as anti-neuroinflammatory.
Inhibition of Human Epidermal Growth Factor Receptor-2 (HER-2) from Pomelo (Citrus maxima) Flavonoid Compounds: an In Silico Approach Mutiah, Roihatul; Dewi, Tanaya Jati Dharma; Suryadinata, Arief; Qonita, Kesimira
Indonesian Journal of Cancer Chemoprevention Vol 12, No 3 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss3pp148-160

Abstract

Citrus maxima or pomelo is a plant that has potential as an anticancer because it contains flavonoids. One of the targets of breast anticancer receptors is the HER-2 protein. This research aims to determine the anticancer activity, the toxicity of the compound, and the prediction of physicochemical properties of flavonoids contained in Citrus maxima through in silico approach. Flavonoid compounds were screened using SwissADME with Lipinski's rule of five, Torsion, TPSA, and P-Gp Non-Substrate. Compounds that passed the screening were carried out molecular docking to the HER-2 receptor (PDB ID: 3PP0) using the Molegro Virtual Docker (MVD). The HER-2 receptor (GDP ID: 3PP0) was declared valid because it had RMSD<2Å. The results showed that there were 11 flavonoid compounds that passed the screening and had a lower rerank score than the comparison compound Trastuzumab. Toxicity was predicted using the Protox II online tool and the results showed that the flavonoid compounds were in the safe limits, namely classes 5 and 3. Based on this research, it can be concluded that acacetin, diosmetin, honyucitrin, isosinensetin, nobiletin, sinensetin, and tangeretin can be candidates for breast cancer drugs based on natural ingredients.Keywords: breast cancer, Citrus maxima, HER-2, in silico.
Induction of Helianthus annuus Leaves Extract to HeLa cell Apoptosis and Cell Cycle Arrest in S, G2-M and M5 Phase Mutiah, Roihatul; Ulfah, Jauza; Amrulloh, Muhammad Firman; Suryadinata, Arief; Indrawijaya, Yen Yen Ari; Rahmawati, Ana
Indonesian Journal of Cancer Chemoprevention Vol 13, No 1 (2022)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev13iss1pp1-11

Abstract

Helianthus annuus L. (H. annuus) is a potential medicinal plant for cancer therapy. The aims of this study is to identify profile the anticancer activity of H. annuus L. from its leaves, root, stem, and seed as well as to elucidate the apoptosis and cell cycle of the leaves. Ten-gram sample of the powder were extracted by using Ultrasound-Assisted Extraction (UAE) with 200 ml of 96% ethanol by comparison of 1:20 with three times replications. The determination of anticancer activity was used the MTT cell proliferation assay, while apoptosis test and cell cycle were applied with the flowcytometry test. The value of IC50 in 96% ethanol extract in the root and stem was >1,000 μg/mL; seed and leaves were 153.76 μg/mL; and 126.6 μg/mL, respectively. The apoptosis induction of H. annuus leaves extract treatment was 7.17% of apoptosis cells; 90.44% of necrosis, and 2.39% of living cells. The H. annuus leaves extract also significantly caused a decrease of cell percentage in G0-G1 phase (p<0.001) and an increase in G2-M phase (p<0.001). The H. annuus leaves extract had greater potential as anticancer instead of other parts. The adding of H. annuus leaves extract increased the HeLa cell apoptosis, decreased percentage of HeLa cells in G0-G1 phase, and increased percentage of HeLa cells in G2-M phase. Cell cycle mechanism test showed cell cycle arrest in S, G2-M, and M5 phase in 24 h, hence inhibited the mitosis process.Keywords: anticancer, Helianthus annuus L, apoptosis, cell cycle.