Single crystal XRD, DFT investigations and molecular docking study of 2- ((1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1, 4-dione as a potential anti- cancer lead molecule

Kavitha Rani P. R., Y. Sheena Mary, Annette Fernandez, Anu Priya S, Y. Shyma Mary, Renjith Thomas. Single crystal XRD, DFT investigations and molecular docking study of 2- ((1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1, 4-dione as a potential anti- cancer lead molecule. Computers & Chemistry, 78:153-164, 2019. [doi]

Abstract

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