DFT and molecular docking analyses of the effects of solvent polarity and temperature on the structural, electronic, and thermodynamic properties of p-coumaric acid: Insights for anti-cancer applications
This study investigated the effects of solvent polarity and temperature on the structural, electronic, and thermodynamic properties of p-coumaric acid (p-CA) and its interaction with caffeine, a promising natural phenolic compound for cancer treatment because of its ability to inhibit tumor growth a...
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Main Authors: | , , , , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2025-01-01
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Series: | Results in Physics |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S221137972400768X |
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