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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.
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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  Data: In Silico Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations.
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  Data: <searchLink fieldCode="AU" term="%22Ibrahim+MAA%22">Ibrahim MAA</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Hassan+AMA%22">Hassan AMA</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Abdelrahman+AHM%22">Abdelrahman AHM</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Mekhemer+GAH%22">Mekhemer GAH</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minya 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Sidhom+PA%22">Sidhom PA</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt.<br /><searchLink fieldCode="AU" term="%22Sayed+SRM%22">Sayed SRM</searchLink>; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Abdelbacki+AMM%22">Abdelbacki AMM</searchLink>; Deanship of Skills Development, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Hegazy+MF%22">Hegazy MF</searchLink>; Department of Pharmaceutical Biology, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, Mainz 55128, Germany.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Wiley%22">Wiley </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101524194 <i>Publication Model: </i>eCollection <i>Cited Medium: </i>Print <i>ISSN: </i>1687-9686 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2216879686%22">16879686 </searchLink><i>NLM ISO Abbreviation: </i>J Trop Med <i>Subsets: </i>PubMed not MEDLINE
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        Value: 10.1155/jotm/1786204
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              Text: 2025 Jul 01
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