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Exploring marine natural products for identifying putative candidates as EBNA1 inhibitors: An insight from molecular docking, molecular dynamics, and DFT computations.

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Title: Exploring marine natural products for identifying putative candidates as EBNA1 inhibitors: An insight from molecular docking, molecular dynamics, and DFT computations.
Authors: Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4000, South Africa. Electronic address: m.ibrahim@compchem.net., Hassan AMA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt., El-Tayeb MA; 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., Khan S; Centre for Pharmaceutical Engineering Science, Faculty of Life Science, School of Pharmacy and Medical Sciences, University of Bradford, BD7 1DP, UK., Soliman MES; Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4000, South Africa., Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Source: Biochemical and biophysical research communications [Biochem Biophys Res Commun] 2024 Nov 26; Vol. 735, pp. 150856. Date of Electronic Publication: 2024 Oct 19.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 0372516 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2104 (Electronic) Linking ISSN: 0006291X NLM ISO Abbreviation: Biochem Biophys Res Commun Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Exploring marine natural products for identifying putative candidates as EBNA1 inhibitors: An insight from molecular docking, molecular dynamics, and DFT computations.
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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, Minia, 61519, Egypt; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4000, South Africa. Electronic address: m.ibrahim@compchem.net.<br /><searchLink fieldCode="AU" term="%22Hassan+AMA%22">Hassan AMA</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Mekhemer+GAH%22">Mekhemer GAH</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 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="%22El-Tayeb+MA%22">El-Tayeb MA</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="%22Khan+S%22">Khan S</searchLink>; Centre for Pharmaceutical Engineering Science, Faculty of Life Science, School of Pharmacy and Medical Sciences, University of Bradford, BD7 1DP, UK.<br /><searchLink fieldCode="AU" term="%22Soliman+MES%22">Soliman MES</searchLink>; Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4000, South Africa.<br /><searchLink fieldCode="AU" term="%22Abdelrahman+AHM%22">Abdelrahman AHM</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
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  Data: <searchLink fieldCode="JN" term="%220372516%22">Biochemical and biophysical research communications</searchLink> [Biochem Biophys Res Commun] 2024 Nov 26; Vol. 735, pp. 150856. <i>Date of Electronic Publication: </i>2024 Oct 19.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier%22">Elsevier </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0372516 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1090-2104 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%220006291X%22">0006291X </searchLink><i>NLM ISO Abbreviation: </i>Biochem Biophys Res Commun <i>Subsets: </i>MEDLINE
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