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Nanosheets adsorption and antiviral activity of Favipiravir drug against envelope proteins of yellow fever virus: DFT and molecular docking simulation study

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Al-Azhar University – Gaza
Albarakati R.; Al-Qurashi O.; Safi Z.; Wazzan N.
Albarakati, Roqaya (58197157400); Al-Qurashi, Ohoud (57190607165); Safi, Zaki (16199979600); Wazzan, Nuha (36155094500)
58197157400; 57190607165; 16199979600; 36155094500
2024
Computational and Theoretical Chemistry
Nanosheets adsorption and antiviral activity of Favipiravir drug against envelope proteins of yellow fever virus: DFT and molecular docking simulation study
1238
Elsevier B.V.
114735
King Abdulaziz University, Chemistry Department, Faculty of Science, P.O. Box 4280, Jeddah, 21589, Saudi Arabia; Department of Chemistry, Faculty of Science, University of Jeddah, Jeddah, Saudi Arabia; Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, P.O. Box 1277, Gaza, Palestine
Albarakati R., King Abdulaziz University, Chemistry Department, Faculty of Science, P.O. Box 4280, Jeddah, 21589, Saudi Arabia; Al-Qurashi O., Department of Chemistry, Faculty of Science, University of Jeddah, Jeddah, Saudi Arabia; Safi Z., Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, P.O. Box 1277, Gaza, Palestine; Wazzan N., King Abdulaziz University, Chemistry Department, Faculty of Science, P.O. Box 4280, Jeddah, 21589, Saudi Arabia
N. Wazzan; King Abdulaziz University, Chemistry Department, Faculty of Science, Jeddah, P.O. Box 4280, 21589, Saudi Arabia; email: nwazzan@kau.edu.sa
2
10.1016/j.comptc.2024.114735
Adsorption; Favipiravir drug; Molecular docking simulation; Nanosheets; NCI; yellow fever virus: QTAIM