Anti-HCV NS2-3 potential of selected plant bioactive compounds revealed by docking, simulation and DFT.

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Title: Anti-HCV NS2-3 potential of selected plant bioactive compounds revealed by docking, simulation and DFT.
Authors: Mboto CI; Department of Microbiology, Faculty of Biological Science, University of Calabar, Calabar, Cross River State, Nigeria.; Viro-Bio Research Laboratory, Department of Microbiology, Faculty of Biological Science, University of Calabar, Calabar, Cross River State, Nigeria., Mbim EN; Viro-Bio Research Laboratory, Department of Microbiology, Faculty of Biological Science, University of Calabar, Calabar, Cross River State, Nigeria.; Department of Microbiology, Faculty of Sciences, Cross State University of Technology, Calabar, Cross River State, Nigeria., Edet UO; Viro-Bio Research Laboratory, Department of Microbiology, Faculty of Biological Science, University of Calabar, Calabar, Cross River State, Nigeria. uwemedet27@gmail.com.; Department of Biological (Microbiology), Faculty of Natural and Applied Sciences, Arthur Jarvis University, Akpabuyo, Cross River State, Nigeria. uwemedet27@gmail.com., Lugos M; Department of Microbiology, Faculty of Science, University of Jos, Jos, Pleateau State, Nigeria., Abdalla M; Pediatric Research Institute, Children's Hospital Affiliated to Shandong University, Jinan, 250022, China. mohnadabdalla200@gmail.com., Ndifon WO; Department of Community Medicine, University of Calabar, Calabar, Nigeria., Ebenso EE; School of Mathematical and Physical Sciences, Faculty of Agriculture, Science & Technology North West University (Mafikeng Campus), Mmabatho, 2735, South Africa., Udo SI; Department of Microbiology, Faculty of Sciences, Cross State University of Technology, Calabar, Cross River State, Nigeria., Egharevba HO; National Institute for Pharmaceutical Research and Development (NIPRD), Idu Industrial Layout, Idu, Garki, Abuja, Nigeria., George UE; Redeemer's University, off Ibadan-Oshogbo Road, Ede, Osun State, Nigeria., El-Sayed MH; Department of Biological Sciences, College of Sciences, Northern Border University, Arar, Saudi Arabia., Abdalla SF; Department of Clinical Sciences, College of Medicine, University of Almaarefa, Daryiyah, 13713, Saudi Arabia.; Research Center, Deanship of Scientific Research and Post-Graduate Studies, AlMaarefa University, Daryiyah, 13713, Riyadh, Saudi Arabia.
Source: Scientific reports [Sci Rep] 2026 Feb 19; Vol. 16 (1). Date of Electronic Publication: 2026 Feb 19.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:2045-2322
DOI:10.1038/s41598-025-18577-8