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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.

Authors :
El Kalai, Fouad
Çınar, Emine Berrin
Sert, Yusuf
Alhaji Isa, Mustafa
Lai, Chin-Hung
Buba, Fatimah
Dege, Necmi
Benchat, Noureddine
Karrouchi, Khalid
Source :
Journal of Biomolecular Structure & Dynamics; 2023, Vol. 41 Issue 21, p11578-11597, 20p
Publication Year :
2023

Details

Language :
English
ISSN :
07391102
Volume :
41
Issue :
21
Database :
Complementary Index
Journal :
Journal of Biomolecular Structure & Dynamics
Publication Type :
Academic Journal
Accession number :
173779829
Full Text :
https://doi.org/10.1080/07391102.2022.2164796