Exploring the molecular structure, vibrational spectroscopic, quantum chemical calculation and molecular docking studies of curcumin: A potential PI3K/AKT uptake inhibitor

Exploring the molecular structure, vibrational spectroscopic, quantum chemical calculation and molecular docking studies of curcumin: A potential PI3K/AKT uptake inhibitor

The IUPAC name of curcumin is (1E, 6E)-1,7-Bis(4-hydroxy-3methoxyphenyl) hepta-1,6-e-3,5-dione (7B3M5D) and is characterized by spectroscopic profiling with FT-IR and FT-Raman spectra obtained both experimentally and theoretically. PED analysis was done for the confirmation of minimum energy obtaine...

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Bibliographic Details
Main Authors:	M. Govindammal, M. Prasath, S. Kamaraj, S. Muthu, M. Selvapandiyan
Format:	Article
Language:	English
Published:	Elsevier 2021-04-01
Series:	Heliyon
Subjects:	FT-IR FT-Raman ADMET prediction Molecular dynamics and molecular Docking
Online Access:	http://www.sciencedirect.com/science/article/pii/S2405844021007490

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