Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine benzoic acid

Divya, P.; Reeda, V.S. Jeba; Renuga, S.; Annapoorani, C. Devi; Jothy, V. Bena

doi:10.1016/j.molstruc.2024.139160

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.139160

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Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine benzoic acid

P. Divya,

V.S. Jeba Reeda,

S. Renuga

et al.

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Molecular structure, light harvesting effect, electronic, topological behavior and molecular docking and molecular dynamic simulation of ( Z )-1-(4-chlorophenyl)-3-(3-( E )-3-(4-chlorophenyl)-3-oxo prop-1-en-1-yl)-phenyl) prop-2-en-1-one— in-vitro assay

K V,

Rajagopal,

Jeba Reeda

et al. 2024

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Molecular structure, light harvesting effect, electronic, topological behavior and molecular docking and molecular dynamic simulation of ( Z )-1-(4-chlorophenyl)-3-(3-( E )-3-(4-chlorophenyl)-3-oxo prop-1-en-1-yl)-phenyl) prop-2-en-1-one— in-vitro assay

K V,

Rajagopal,

Jeba Reeda

et al. 2024

Spectroscopy Letters

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Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine benzoic acid

Cited by 1 publication

References 51 publications

Molecular structure, light harvesting effect, electronic, topological behavior and molecular docking and molecular dynamic simulation of ( Z )-1-(4-chlorophenyl)-3-(3-( E )-3-(4-chlorophenyl)-3-oxo prop-1-en-1-yl)-phenyl) prop-2-en-1-one— in-vitro assay

Molecular structure, light harvesting effect, electronic, topological behavior and molecular docking and molecular dynamic simulation of ( Z )-1-(4-chlorophenyl)-3-(3-( E )-3-(4-chlorophenyl)-3-oxo prop-1-en-1-yl)-phenyl) prop-2-en-1-one— in-vitro assay

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