Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti-cancer evaluation

This study explores the pharmacological potential of chalcones through a multidisciplinary approach, including synthesis, quantum theory, molecular electrostatics, and density functional theory (DFT) calculations. The synthesized compound, analyzed via single crystal X-ray diffraction, crystallized...

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Detalhes bibliográficos

Principais autores:	Fares Hezam Al-Ostoot, P. Akhileshwari, Vivek Hamse Kameshwar, D.V. Geetha, Majed S. Aljohani, Hussam Y. Alharbi, Shaukath Ara Khanum, M.A. Sridhar
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Elsevier 2024-07-01
coleção:	Heliyon
Assuntos:	Chalcone Quantum theory Molecular electrostatic Molecular packing DFT calculations Anti-cancer activity
Acesso em linha:	http://www.sciencedirect.com/science/article/pii/S2405844024098451
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