In Silico Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations.
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| Title: | In Silico Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations. |
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| Authors: | Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4000, South Africa.; Department of Engineering, College of Engineering and Technology, University of Technology and Applied Sciences, Nizwa 611, Oman., Hassan AMA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt., Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt., Sayed SRM; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia., Abdelbacki AMM; Deanship of Skills Development, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia., Hegazy MF; Department of Pharmaceutical Biology, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, Mainz 55128, Germany. |
| Source: | Journal of tropical medicine [J Trop Med] 2025 Jul 01; Vol. 2025, pp. 1786204. Date of Electronic Publication: 2025 Jul 01 (Print Publication: 2025). |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Wiley Country of Publication: United States NLM ID: 101524194 Publication Model: eCollection Cited Medium: Print ISSN: 1687-9686 (Print) Linking ISSN: 16879686 NLM ISO Abbreviation: J Trop Med Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1687-9686 |
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| DOI: | 10.1155/jotm/1786204 |
