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All Journal ODONTO Dental Journal Majalah Obat Tradisional INDONESIAN JOURNAL OF PHARMACY Dentino: Jurnal Kedokteran Gigi Padjadjaran Journal of Dentistry Molecular and Cellular Biomedical Sciences (MCBS) Dentin An-Nadaa: Jurnal Kesehatan Masyarakat Bubungan Tinggi: Jurnal Pengabdian Masyarakat Jurnal Pengabdian Ilung (Inovasi Lahan Basah Unggul) Jurnal Pengabdian Sumber Daya Manusia Denta: Jurnal Kedokteran Gigi Makara Journal of Science Odonto dental journal Jurnal Bioteknologi & Biosains Indonesia (JBBI) Jurnal Bioteknologi & Biosains Indonesia
Utami, Juliyatin Putri
Departemen Biomedik, Fakultas Kedokteran Gigi, Universitas Lambung Mangkurat
Agriculture, Biological Sciences & Forestry Arts Humanities Astronomy Biochemistry, Genetics & Molecular Biology Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Dentistry Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Veterinary Other

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Journal : Makara Journal of Science

 1 
An in Silico Study of the Cathepsin L Inhibitory Activity of Bioactive Compounds in Stachytarpheta jamaicensis as a Covid-19 Drug Therapy Utami, Juliyatin Putri; Kurnianingsih, Nia; Faisal, Mohammad Reza
Makara Journal of Science Vol. 26, No. 1
Publisher : UI Scholars Hub

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Abstract

Inhibition of cathepsin L (Cat L) can be considered a target for COVID-19 treatment. Starchytapheta jamaicensis is a plant from the Verbenaceae family that is commonly used for medicinal purposes. This study aims to analyze the inhibitory activities of compounds of Stachytarpheta jamaicensis toward Cat L by computational docking analysis. Ten compounds contained in the extracts (i.e., α-spinasterol, apigenin, luteolol-7-glucuronide, friedelin, hispidulin, chlorogenic acid, ipolamiide, geraniol, hentriacontane, and γ-aminobutyric acid) were selected as ligands; decanoyl-arg-val-lys-arg-chloromethylketone and oxocarbazate were used as the reference. Computational docking analysis was performed using Autodock Vina integrated into PyRx 8.0 and visualized using the Discovery Studio Visualizer v19.1.0.18287 (2019 version) based on the scoring functions. Seven bioactive compounds were bound more strongly than decanoyl-arg-val-lys-arg-chloromethylketone: α-spinasterol, apigenin, luteolol-7-glucuronide, friedelin, hispidulin, chlorogenic acid, and ipolamiide. However, all bioactive compounds were bound with less strength than oxocarbazate. Apigenin showed the best affinity, with much hydrogen bonding, and had the same ASN18 residue as Cat L inhibitor 1. PreADMET showed that all compounds of S. jamaicensis did not have hepatotoxicity, mutagenic, and carcinogenic criteria. The current research indicates that S. jamaicensis compounds can be used as an inhibitor for Cat L and as a COVID-19 drug candidate.
Molecular Docking of the Interaction between Citrus amblycarpa Extract Contents and Inflammatory Proteins of Hepatic Steatosis Rosida, Lena; Pratiwi, Dewi Indah Noviana; Panghiyangani, Roselina; Utami, Juliyatin Putri; Idhafi, Nasrul; Febriansyah, Muhammad; Budiarman, Andi Azizah Maulidia
Makara Journal of Science Vol. 28, No. 2
Publisher : UI Scholars Hub

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Citrus amblycarpa possesses various pharmacological activities, such as antioxidant, anticancer, antitumor, hepatoprotective, anti-inflammatory, antidiabetic, antiviral, antibacterial, and antifungal. The main active compounds in C. amblycarpa (including gamma (γ)-aminobutyric acid [GABA], hesperidin, naringin, neoeriocitrin, poncirin, quercetin, and rutin) show potential to interact with the inflammatory proteins in hepatic steatosis (such as nuclear factor kappa beta [NF-kB], tumor necrosis alpha [TNF-alpha], interleukin-6 [IL-6], c-Jun NH2-terminal kinase [JNK], and adiponectin). Molecular docking simulations were performed using Swiss Dock (http://www.swissdock.ch/), and analysis and visualization were conducted using Discovery Studio 4.1. Rutin, poncirin, hesperidin, and neoeriocitrin exhibit high affinities to NF-κB, TNF-alpha, IL-6, and adiponectin proteins, respectively. Similar to curcumin–adiponectin complex interaction, neoeriocitrin–adiponectin interaction involves GLY 223, PRO41, and VAL93 residues. Thus, the most potent inhibitor of hepatic sterosis marker was neoeriocitrin.
Co-Authors Adhiya, Geyanina Melda Agung Satria Wardhana Ainna Dewi Iriani Amalia, Aysca Fakhira Amy Nindia Carabelly Anisa Novia Farrasti Annisa Noviany Apriasari, Maharani Lailyza Aprilyani, Nur Arifin, Rahmad Aspriyanto, Didit At-Thoyyar, Aila Azminida, Dhiya Salma Baitullah, Muhammad Akbar Bambang Setiawan Bayu Indra Sukmana Beta Widya Oktiani Budiarman, Andi Azizah Maulidia Dewi Indah Noviana Pratiwi, Dewi Indah Noviana Dewi Nurdiana Dewi Purboningsih Dewi Puspitasari Dewi Puspitasari Diana Lyrawati Diana Wibowo Erika Norfitriyah Eriwati, Yosi Kusuma Erni Marlina Febriansyah, Muhammad Firda Damayanti Firdaus, I Wayan Arya Krishnawan Fransiska Uli Arta Panjaitan Gita Puspa Ningrum Hadi Waskito Haluanry Doane Santoso Hatta, Isnur Ichrom Nahzi, Muhammad Yanuar Idhafi, Nasrul Ika Kusuma Wardani Jatmiko, Habibi Naufal Kelana, Adhytya Suryo Krishnawan Firdaus, I Wayan Arya Kurnianingsih, Nia Lena Rosida Maghfirah, Yolanda Sajjida Maharani Laillyza Apriasari Maria Tanumihardja, Maria Maulida, Novi Dwi Melisa Budipramana, Melisa Milka Widya Sari Mira Hadistiana Monita Valentine Silalahi Muhammad Adeya Herdira Putra Muhammad Akbar Baitullah Muhammad Hasanu Reksi Muhammad Reza Faisal, Muhammad Reza Muhammad Rizal Bima Saputra Muhlisin, Mahmud Nahzi, Yanuar Ichrom Nanda Putri Arini Nia Kurnianingsih Nida, Raihatun Nisa Fachrizha Munier Nor Rahman Sugiarto Norfitriyah, Erika Novi Dwi Maulida Novia Damayanti Nur Tsaniya, Gusti Erysa Nurdiana Nurdiana Nurrahman, Tri Oktiani, Beta Widya Panghiyangani, Roselina Pramitha, Selviana Rizky Priyawan Rachmadi Rahmad Arifin Ramadhaniyah, Nur Roselina Panghiyangani Safa Muzdalifah Salsabila, Namira Fathya Sandra Bhakti Mafriana Sari, Galuh Dwinta Sari, Milka Widya Sarifah, Norlaila Sherli Diana Silalahi, Monita Valentine Tri Putri, Deby Kania Wydiamala, Erida Yunike Christanti Yusrinie Wasiaturrahmah