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All Journal HAYATI Journal of Biosciences Journal of Food and Pharmaceutical Science Pharmaciana: Jurnal Kefarmasian Indonesian Journal of Cancer Chemoprevention Mutiara Medika: Jurnal Kedokteran dan Kesehatan Majalah Obat Tradisional Jurnal Farmasi Sains dan Komunitas Acta Pharmaciae Indonesia : Acta Pharm Indo BERDIKARI : Jurnal Inovasi dan Penerapan Ipteks Acta Biochimica Indonesiana Menara Perkebunan Journal of Fundamental and Applied Pharmaceutical Science Universitas Muhammadiyah Yogyakarta Undergraduate Conference Proceeding Prosiding Seminar Nasional Program Pengabdian Masyarakat Pharmacy Reports Pharmaceutical Sciences and Research (PSR) Jurnal Farmasi Sains dan Praktis Journal of Food and Pharmaceutical Sciences
Rifki Febriansah
School Of Pharmacy, Faculty Of Medicine And Health Sciences, Universitas Muhammadiyah Yogyakarta, Yogyakarta 55183, Indonesia
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Earth & Planetary Sciences Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Public Health Social Sciences

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Journal : Pharmacy Reports

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Exploration of date palm (Phoenix dactylifera) bioactivity as anti-SARS-CoV-2: in silico study Arifin, Nuha Haifa; Febriansah, Rifki
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.50

Abstract

The COVID-19 pandemic has highlighted the need for innovation and the development of antiviral agents. One plant with potential antiviral properties is the date palm (Phoenix dactylifera). However, research on the antiviral activity of dates against SARS-CoV-2 is limited. This study aims to assess the antiviral potential of compounds found in date palm fruit using a molecular docking method. Specifically, we compare these compounds to the antiviral drugs ritonavir and nirmatrelvir in their ability to inhibit SARS-CoV-2 proteins. The molecular docking analysis was conducted using various tools and software, including Autodock Vina, DS Visualizer, Autodock Tools, Python, and Marvin Sketch. The results of the study indicate that compounds such as apigenin, diosmetin, and luteolin have strong potential as antiviral agents. The binding affinity of apigenin in date fruit with various SARS-CoV-2 proteins is as follows: -7.6 kcal/mol for 3CL-Pro, -8.7 kcal/mol for Nsp3, -5.7 kcal/mol for PD-ACE-2, and -7.0 kcal/mol for RBD-S. Diosmetin exhibits similar binding affinities with these proteins: -6.7 kcal/mol, -8.5 kcal/mol, -5.6 kcal/mol, and -7.2 kcal/mol, respectively. Luteolin also shows strong binding affinities: -7.9 kcal/mol, -8.6 kcal/mol, -5.7 kcal/mol, and -7.3 kcal/mol. In comparison, nirmatrelvir achieved docking scores of -7.2 kcal/mol, -7.5 kcal/mol, -5.1 kcal/mol, and -6.3 kcal/mol with the same proteins, while ritonavir scored -7.0 kcal/mol, -8.2 kcal/mol, -5.6 kcal/mol, and -6.7 kcal/mol, respectively. Apigenin, diosmetin, and luteolin demonstrate stronger potential than nirmatrelvir and ritonavir, as evidenced by their lower docking scores when compared to these drugs.
Co-Authors Adi Hermawansyah Aditya Fitriasari Aini, Dita Aji Winanta Aji Winanta Aji Winanta Alamsyah, Maura Shavira Aldi Ihza Mahendra Amaliyah, Alfiah Anggi Sabaya Anggraini, Chaessy Yori Arifin, Nuha Haifa Arsito, Puguh Novi Asti Widuri, Asti Cika Fathunissa Desmayanti, Astri Desy Bintang, Desy Devanola Pitaloka Aninda Matsna Aziza Devi Rahmawati, Devi Dita Prabaningrum, Dita Dita Sozianty Dwi Susilo Hardika, Dwi Susilo Dyaningtyas Dewi P. Putri Dzilqi Bustanul Hadi, Dzilqi Bustanul Ega Hida Prabowo Endah Puspitasari Fajriyah, Qatrunada Fatma Sari Masitha Hanik, Linta Sabila Hardi Astuti Witasari Hari Widada Hari Widada, Hari Hidayaturahmah, Rizky Ikfini, Hayu Iwan Dewanto, Iwan Johan Agung Dermawan Julita, Irna Juniananda, Melisa Kenyori, Ivana Kinanti Kintoko Kintoko Krisridwany, Annisa Kusnindyasita, Anisa Kusumaningtyas, Triana Arum Masitha, Fatma Sari Muhammad Arif Rizqi Muhammad Salman Fareza Muhtadi Muhtadi Mulyanti, Amelia Nur'afni Mustafid Amna Nazariah Putri Ningrum, Dhecella Ningrum, Dhecella Winy Cintya Ningsih, Tria Nisriina Yusan Nindy Azzahra Novitasari, Putri Rachma Noviyanti, Vidia Nuha Haifa ARIFIN Nuha Haifa Arifin Nur Ismiyati Nur Oktafiyani, Nur Octavia, Melany Ayu Ramdhani Saifulloh Ranti, Imaniar Rawi Ingra Savitri Sabtanti Harimurti, Sabtanti Saputri, Dwi Saputri, Ginanjar Zukhruf Sarmoko Sarmoko Setiadi, Prismo Setiadi, Prismo Bagas Setiyawati, Fitri Indah Siska Febdian Nitami Siti Nahdiyatul Ummah Sri Tasminatun Totok Suwanda Triana Kusumaningtyas, Triana Utami, Febri Widyaningrum, Rachmawati Yulianto Yulianto