Boesenbergia rotunda-Derived Phytochemicals as Potent Inhibitors of SARS-CoV-2 Papain-Like Protease (PLpro): Insights From Molecular Docking and Dynamic Simulation.

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Title: Boesenbergia rotunda-Derived Phytochemicals as Potent Inhibitors of SARS-CoV-2 Papain-Like Protease (PLpro): Insights From Molecular Docking and Dynamic Simulation.
Authors: Khan DA; Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Sheikh MA; Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Imon RR; Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Imtiaz M; Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Ahmed S; Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Gharami H; Department of Pharmacy, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Labana RV; Center for Health Sciences, Research Institute for Science and Technology, Polytechnic University of the Philippines, Sta. Mesa, Manila, 1008, Philippines, pup.edu.ph.; Department of Biology, College of Science, Polytechnic University of the Philippines, Sta. Mesa, Manila, 1008, Philippines, pup.edu.ph., Jimoh TO; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, New York, USA, mountsinai.org., Gaurav A; Department of Pharmaceutical Sciences, School of Health Sciences and Technology, UPES, Dehradun, 248007, Uttarakhand, India, upes.ac.in., Pereira ML; Department of Medical Sciences & CICECO-Aveiro Institute of Materials, University of Aveiro, Aveiro, Portugal, ua.pt., Nawaz M; Department of Nano-Medicine Research, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, Dammam, Saudi Arabia, iau.edu.sa., Dungca JZ; School of Science and Technology, Centro Escolar University, 9 Mendiola St. San Miguel, Manila, 1005, Philippines., Hasan MN; Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh, just.edu.bd., Ghosh M; Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi, 835 215, Jharkhand, India, bitmesra.ac.in., Nissapatorn V; School of Allied Health Sciences and World Union for Herbal Drug Discovery (WUHeDD), Walailak University, Nakhon Si Thammarat, Thailand, wu.ac.th.
Source: Scientifica [Scientifica (Cairo)] 2026 Apr 29; Vol. 2026, pp. 1695824. Date of Electronic Publication: 2026 Apr 29 (Print Publication: 2026).
Publication Type: Journal Article
Journal Info: Publisher: Wiley Country of Publication: United States NLM ID: 101589932 Publication Model: eCollection Cited Medium: Print ISSN: 2090-908X (Print) Linking ISSN: 2090908X NLM ISO Abbreviation: Scientifica (Cairo) Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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ISSN:2090-908X
DOI:10.1155/sci5/1695824