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All Journal HAYATI Journal of Biosciences Natural Science: Journal of Science and Technology CAKRA KIMIA (Indonesian E-Journal of Applied Chemistry) Jurnal Kimia (Journal of Chemistry) Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) The Journal of Pure and Applied Chemistry Research JPM17: Jurnal Pengabdian Masyarakat Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) Majalah Obat Tradisional Jurnal Farmasi Sains dan Komunitas Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Jurnal Wiyata : Penelitian Sains dan Kesehatan JURNAL MANAJEMEN DAN PELAYANAN FARMASI (Journal of Management and Pharmacy Practice) Majalah Farmasi dan Farmakologi (Trends in Pharmacy and Pharmaceutical Sciences) Jurnal Katalisator GERVASI: Jurnal Pengabdian kepada Masyarakat Pharmaceutical Journal of Indonesia International Journal of Agricultural Sciences Jurnal Farmamedika (Pharmamedica Journal) Medika Alkhairaat : Jurnal Penelitian Kedokteran dan Kesehatan Jurnal Kefarmasian AKFARINDO Hubungan Tingkat Pengetahuan Petugas Pengelola Obat dengan Tingkat Ketersediaan Obat Di Puskesmas Kota Malang Jurnal Insan Farmasi Indonesia Jurnal Farmasi Journal of Fundamental and Applied Pharmaceutical Science Journal of Community Practice and Social Welfare (JaCiPS) Indonesian Community Journal JOMPA ABDI: Jurnal Pengabdian Masyarakat Lamahu: Jurnal Pengabdian Masyarakat Terintegrasi Sainsbertek Jurnal Ilmiah Sains & Teknologi Jurnal Permata Indonesia Journal of Global Pharma Technology Narra X Borneo Journal of Pharmacy Jurnal Farmasi Ma Chung: Sains, Teknologi, dan Klinis Komunitas Jurnal Kefarmasian Indonesia Khidmat: Journal Community Service Journal of Pharmascience
Rollando, Rollando
Faculty Of Health Sciences, Universitas Ma Chung, Malang, Indonesia
Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Other

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In silico design of a multi-epitope rabies vaccine candidate incorporating African HLA diversity: A reverse vaccinology approach Moh R. Afnani; Nur F. Emilia; Efi Nurlaili; Anwar Rovik; Arif NM. Ansori; Arli A. Parikesit; Shrabonti Chatterjee; Joydeep Mahata; Athika Firdous; Sukma Sahadewa; Aswin R. Khairullah; I MDM. Adnyana; Maksim Rebezov; Abdugani Abdurasulov; Fara D. Durry; Rollando Rollando
Narra X Vol. 4 No. 1 (2026): April 2026
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narrax.v4i1.263

Abstract

Rabies remains a neglected zoonotic disease with disproportionately high incidence and mortality across African regions, highlighting the need for improved and population-tailored preventive strategies. The aim of this study was to design and evaluate a multi-epitope rabies vaccine candidate targeting the rabies virus glycoprotein using a reverse vaccinology and immunoinformatics approach, with consideration of African human leukocyte antigen (HLA) allele diversity. A total of eleven cytotoxic T-lymphocyte (CTL), nine helper T-lymphocyte (HTL), and nine B-cell linear epitopes were predicted and subsequently filtered based on immunogenicity, interferon-gamma (IFN-γ) induction potential, antigenicity, allergenicity, and toxicity. The selected epitopes were assembled into a vaccine construct using appropriate adjuvants and immunostimulatory linkers. Population coverage analysis demonstrated a high theoretical coverage of 99.95% across five African subregions, underscoring the advantage of region-specific vaccine design. The final construct exhibited favorable physicochemical properties, including an instability index of 29.00 and a Grand Average of Hydropathy (GRAVY) score of -0.304, indicating stability and hydrophilicity. Structural validation showed 95.6% residues in favored regions of the Ramachandran plot, with an ERRAT score of 98.86 and a ProSA Z-score of -3.26. Molecular docking with toll-like receptor 4 (TLR4) revealed strong binding interactions, including 35 hydrogen bonds and ten salt bridges. Immune simulation predicted robust humoral and cellular responses with memory cell formation, while normal mode analysis supported structural stability and flexibility. Furthermore, the construct was successfully codon-optimized (codon adaptation index: 0.97; GC content: 51%) and in silico cloned into the pET-28a(+) vector, indicating potential for expression in Escherichia coli. These findings support the theoretical feasibility of a population-specific rabies vaccine candidate and warrant further experimental validation.
Potensi Senyawa pada Tanaman Secang (Caesalpinia Sappan) dalam Menghambat Enzim COX-2 sebagai Antiinflamasi Lealita; Anastasia Risvina Easter Ajie Pramesti; Rollando; Michael Resta Surya Yanuar
Jurnal Farmasi Ma Chung: Sains, Teknologi, dan Klinis Komunitas Vol. 3 No. 2 (2025): Jurnal Farmasi Ma Chung: Sains, Teknologi, dan Klinis Komunitas
Publisher : Program Studi Farmasi, Universitas Ma Chung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33479/jfmc.v3i2.79

Abstract

Inflamasi merupakan respon imun terhadap infeksi atau kerusakan jaringan yang melibatkan enzim Siklooksigenase-2 (COX-2) dalam sintesis prostaglandin. Menghambat COX-2 merupakan strategi penting dalam pengembangan obat antiinflamasi. Penelitian ini bertujuan untuk menyalakan potensi senyawa aktif dari kayu secang (Caesalpinia sappan L.) sebagai inhibitor COX-2 melalui pendekatan in silico. Docking molekuler dilakukan pada protein COX-2 (PDB ID: 5KIR) menggunakan PyRx, dilanjutkan dengan metode validasi dan analisis interaksi ligan. Simulasi dinamika molekuler (MD) menggunakan YASARA dilakukan pada senyawa dengan afinitas terbaik. Hasil docking menunjukkan bahwa protosappanin A memiliki afinitas pengikatan sebesar –9,7 kkal/mol, lebih tinggi dari brazilin (–9,2 kkal/mol) dan sappanone B (–9,3 kkal/mol), meskipun masih lebih rendah daripada ligan asli (–10,3 kkal/mol). Simulasi MD selama 100 ns menunjukkan stabilitas stabilitas dengan nilai RMSD 1,5–2,0 Å dan RMSF rata-rata 1,0 Å. Hasil ini menunjukkan bahwa protosappanin A berpotensi sebagai inhibitor COX-2 dan kandidat antiinflamasi alami yang menjanjikan. Temuan ini memerlukan validasi lebih lanjut untuk mengonfirmasi potensinya. Oleh karena itu, penelitian ini dapat menjadi titik awal yang kuat untuk penelitian lebih lanjut melalui uji in vitro dan in vivo, untuk mendukung potensi terapeutiknya yang menjanjikan dan membuka peluang baru untuk mengembangkan pengobatan yang lebih efektif.
Cytotoxic and In Silico Evaluation of Hyrtios erectus Extract Against T47D Breast Cancer Cells: A Potential Marine-Derived Anticancer Agent Rollando, Rollando
Journal of Fundamental and Applied Pharmaceutical Science Vol. 6 No. 1 (2025): August
Publisher : Universitas Muhammadiyah Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18196/jfaps.v6i1.26988

Abstract

Hyrtios erectus is a marine sponge species with promising potential as an anticancer agent. This study aimed to evaluate the cytotoxic activity of Hyrtios erectus extract against T47D breast cancer cells and assess the drug-likeness of its active compounds through in silico approaches. The investigation began with a phytochemical screening of the extract, followed by a cytotoxicity assay using the MTT method. The in silico analysis included PASS prediction, ADMET evaluation, and molecular docking. Phytochemical screening revealed the presence of flavonoids, alkaloids, terpenes, and saponins. The cytotoxicity test yielded an IC₅₀ value of 12.73 ± 1.05 µg/mL and a selectivity index (SI) of 18.16, indicating strong cytotoxic activity and high selectivity towards T47D breast cancer cells. PASS and ADMET analyses predicted that 20 identified compounds possess anticancer potential with low toxicity. Molecular docking results exhibited favorable binding energies for 2-chloro-6-phenyl-8H-quinazolino[4,3-b]-quinazolin-8-one, Echinoclerodane A, and 5-hydroxy-1H-indole-3-carboxylic-acid-methyl-ester, suggesting significant interaction with cancer-related protein targets. These findings support the potential of Hyrtios erectus extract and its bioactive compounds as promising candidates for anticancer drug development.
Co-Authors Abdugani Abdurasulov Ade Irene Beactris Saudale Adi Hermansyah, Adi Adi Sofyan Ansori, Muhammad Aini, Nur Sofiatul Alfanaar, Rokiy Anastasia Risvina Easter Ajie Pramesti Anwar Rovik Arif NM. Ansori Arli A. Parikesit Arum Ardanareswari Aswin R. Khairullah Atarodang Beatrico Lyo Athika Firdous Ayu Merli Wahyuni Aziz, Nur Bella Vania Sianto Benedictus Karel Bezhinar, Tatyana Burkov, Pavel Chandra, Melisa Dwi Charina Halim Sugiono Chresiani Destianita Yoedistira Chresiani Destianita Yoedistira Chresiani Destianita Yoedistira Christopher Daniel Kurniawan Collins, Ellen Derkho, Marina Dhanang Prawira Nugraha Dhita Rizki Amalia Dion Notario Dion Notario Dodi Iskandar Dodi Iskandar, Dodi E. Monica Efi Nurlaili Eka Anggie Amalia Eka Anggie Amalia Erizcha Debora Embang Erlinawati Santoso Erlinawati Santoso Eva Monica Eva Monica Eva Monica Eva Monica, Eva Fara D. Durry Fauziya Radani Fibe Yulinda Cesa FX Haryanto Susanto Godeliva Adriani Hendra Gudz, Petr Gytha Novella Ongkowijoyo Herdiansyah, Mochammad Aqilah Hery Purnobasuki I MDM. Adnyana Ichsan Ichsan Indriani Nuraini Widya Ismaurasi, Marcelina Fransisca Alecia Joydeep Mahata Kestrilia Rega Prilianti Khairullah, Aswin Rafif Kharisma, Viol Dhea Kotimah, Chusnul Lealita Leny Yuliati Maksim Rebezov Maksimiuk, Nikolai Maria Sindy Marsha Anggita Amelia Martanty Aditya, Martanty Masruri Masruri Masruri Masruri Maywan Hariono Michael Resta Surya Yanuar Mifta Devin Suwandi Moh R. Afnani Monica, Eva Muhammad Hilmi Afthoni Muhammad Setiyawan Munawir Sazali Murtadlo, Ahmad Affan Ali Nashi Widodo Nashi Widodo Natanael Anugerah Tuuk Natan Nugraha, Dhanang Prawira Nur F. Emilia Nurmiati Nurul Azmi Wibawanty P. N. Alfiyandri Paulina Genoveva Moza Pramesti, Agatha Tri Endha Rahadi, Theresa Dhea Lonika Raharja, Albert Rebezov, Maksim Rehmadanta Sitepu Rehmadanta Sitepu Rehmadanta Sitepu Rehmadanta Sitepu Rehmadenta Sitepu Renata Hadi Resha Ramadhania Rino Tam Cahyadi, Rino Tam Ririn Nurdiani Ririn Nurdiani Ruth Febriana Kesuma Sabrina Handayani Tambun Sandra Dewi Tansil Setiawan, Hendry Shrabonti Chatterjee Siswadi Siswadi Sitepu, Rehmadanta Sitepu, Rehmadanta Sophia Yusnita Wahyu Timur Sophia Yusnita Wahyu Timur Sri Hardyastutik Sugiono, Charina Halim Suharyani Amperawati Sukma Sahadewa Susana Susana Susanto, FX. Haryanto Teguh Hari Sucipto, Teguh Hari Trianom Suryandharu W. Swastika Wahyu Timur, Sophia Yusnita Warsito . Warsito Warsito Widyananda, Muhammad Hermawan Windra Swastika Windra Swastika Y. Erning Indrastuti Yandriyani, Devilke Yanuar, Michael Resta Surya Yuni Purwaningdiah Yurida Ekawati Yurida Ekawati Yuyun Yuniati