Theoretical investigation on the interaction between Metformin and Ferulic acid-A DFT approach
SPM Paul, G Praveena, RJ Beula, M Haris… - Journal of the Indian …, 2022 - Elsevier
We have theoretically studied the interaction of a commonly used drug, Metformin, with the
herb, Ferulic acid, applying density functional theory (DFT). The complex was optimized at
various positions and confirmed to be in their local minima through vibrational analysis at
B3LYP/6–311++ G∗∗ level. Study on the molecular geometry along with the interaction
energy of the complexes confirmed the presence of interaction between the hydroxyl and
amine group of the herb and drug respectively. The calculation of Gibbs free energy and …
herb, Ferulic acid, applying density functional theory (DFT). The complex was optimized at
various positions and confirmed to be in their local minima through vibrational analysis at
B3LYP/6–311++ G∗∗ level. Study on the molecular geometry along with the interaction
energy of the complexes confirmed the presence of interaction between the hydroxyl and
amine group of the herb and drug respectively. The calculation of Gibbs free energy and …
THEORETICAL INVESTIGATION ON THE INTERACTION BETWEEN METFORMIN AND FERULIC ACID-A DFT APPROACH
S Prince Makarios Paul, D Parimala Devi, G Praveena… - 2022 - dspaceir.psgrkcw.com
We have theoretically studied the interaction of a commonly used drug, Metformin, with the
herb, Ferulic acid, applying density functional theory (DFT). The complex was optimized at
various positions and confirmed to be in their local minima through vibrational analysis at
B3LYP/6–311++ G∗∗ level. Study on the molecular geometry along with the interaction
energy of the complexes confirmed the presence of interaction between the hydroxyl and
amine group of the herb and drug respectively. The calculation of Gibbs free energy and …
herb, Ferulic acid, applying density functional theory (DFT). The complex was optimized at
various positions and confirmed to be in their local minima through vibrational analysis at
B3LYP/6–311++ G∗∗ level. Study on the molecular geometry along with the interaction
energy of the complexes confirmed the presence of interaction between the hydroxyl and
amine group of the herb and drug respectively. The calculation of Gibbs free energy and …
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