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

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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Bibliographic Details
Main Authors: Fares Hezam Al-Ostoot, P. Akhileshwari, Vivek Hamse Kameshwar, D.V. Geetha, Majed S. Aljohani, Hussam Y. Alharbi, Shaukath Ara Khanum, M.A. Sridhar
Format: Article
Language:English
Published: Elsevier 2024-07-01
Series:Heliyon
Subjects:
Chalcone
Quantum theory
Molecular electrostatic
Molecular packing
DFT calculations
Anti-cancer activity
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844024098451

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http://www.sciencedirect.com/science/article/pii/S2405844024098451

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