Molecular Modeling of the Spectroscopic, Structural, and Bioactive Potential of Tetrahydropalmatine: Insight from Experimental and Theoretical Approach

• Published in: Polycyclic aromatic compounds Vol. 43; no. 7; pp. 5958 - 5975
• Main Authors: Emori, Wilfred, Louis, Hitler, Adalikwu, Stephen A., Timothy, Rawlings A., Cheng, Chun-Ru, Gber, Terkumbur E., Agwamba, Ernest C., Owen, Aniekan E., Ling, Liu, Offiong, Offiong E., Adeyinka, Adedapo S.
• Format: Journal Article
• Language: English
• Published: Philadelphia Taylor & Francis 09.08.2023; Taylor & Francis Ltd
• Subjects: Anti-inflammatory agents; benchmarking; Density functional theory; DFT; Drug development; Functional groups; Inflammation; Investigations; Molecular docking; Molecular modelling; Perturbation; spectroscopy; Structural analysis; Tetrahydropalmatine

Tetrahydropalmatine have been experimentally reported to have promising biological applications, although detailed theoretical investigation on its structural activities regarding its potency as a potential anti-inflammatory drug candidate has not been reported. In that regard, this present work foc...