Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent

Fouad El Kalaia Laboratory of Applied Chemistry and Environment (LCAE), Department of Chemistry, Faculty of Sciences, Mohammed I University, Oujda, MoroccoView further author information

Emine Berrin Çınarb Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Samsun, TurkeyView further author information

Yusuf Sertc Sorgun Vocational School, Science and Art Faculty-Department of Physics, Yozgat Bozok University, Yozgat, TurkeyView further author information

Mustafa Alhaji Isad Department of Microbiology, Faculty of Sciences, University of Maiduguri, Maiduguri, NigeriaView further author information

Chin-Hung Laie Department of Medical Applied Chemistry, Chung Shan Medical University, Taichung, Taiwan;f Department of Medical Education, Chung Shan Medical University Hospital, Taichung, TaiwanView further author information

Fatimah Bubag Department of Biochemistry, Faculty of Sciences, University of Maiduguri, Maiduguri, NigeriaView further author information

Necmi Degeb Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Samsun, TurkeyView further author information

Noureddine Benchata Laboratory of Applied Chemistry and Environment (LCAE), Department of Chemistry, Faculty of Sciences, Mohammed I University, Oujda, MoroccoView further author information

Khalid Karrouchih Laboratory of Analytical Chemistry and Bromatology, Team of Formulation and Quality Control of Health Products, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Rabat, MoroccoCorrespondence[email protected]

https://orcid.org/0000-0002-8075-8051 View further author information

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Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent

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Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent

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