Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV–visible, and NMR)with molecular docking approach on an antifibrotic drug Pirfenidone

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127394 ◽

2020 ◽

Vol 1203 ◽

pp. 127394 ◽

Cited By ~ 2

Author(s):

P. Manjusha ◽

Johanan Christian prasana ◽

S. Muthu ◽

BR. Raajaraman

Keyword(s):

Molecular Docking ◽

Density Functional ◽

Spectroscopic Analysis ◽

Functional Studies ◽

Docking Approach ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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FT-IR, FT-Raman, UV–Visible, NMR, DFT and molecular docking investigation of 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol

Results in Chemistry ◽

10.1016/j.rechem.2021.100096 ◽

2021 ◽

Vol 3 ◽

pp. 100096

Author(s):

P. Rajamani ◽

V. Vijayakumar ◽

N. Sundaraganesan ◽

Mani Jeeva ◽

Maria Susai Boobalan

Keyword(s):

Molecular Docking ◽

Ft Ir ◽

Uv Visible ◽

Methyl Naphthalene ◽

Ft Raman

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Erratum to “FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine” [Spectrochim. Acta Part A 61 (2005) 2995–3001]

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.10.003 ◽

2005 ◽

Vol 62 (1-3) ◽

pp. 753 ◽

Cited By ~ 1

Author(s):

N. Sundaraganesan ◽

S. Ilakiamani ◽

H. Saleem ◽

Piotr. M. Wojciechowski ◽

Danuta Michalska

Keyword(s):

Ir Spectra ◽

Density Functional ◽

Vibrational Assignments ◽

Functional Studies ◽

Ft Ir ◽

Ft Raman

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FT-IR, FT-Raman, vibrational assignments, and density functional studies of 1,2,4-triazole-3-carboxylic acid, and its tautomers, dimers

Structural Chemistry ◽

10.1007/s11224-011-9868-y ◽

2011 ◽

Vol 23 (2) ◽

pp. 433-440 ◽

Cited By ~ 7

Author(s):

Şenay Yurdakul ◽

Sibel Tanrıbuyurdu

Keyword(s):

Carboxylic Acid ◽

Density Functional ◽

Vibrational Assignments ◽

Functional Studies ◽

Ft Ir ◽

Ft Raman

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Electronic [UV–Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR–mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.11.112 ◽

2015 ◽

Vol 139 ◽

pp. 229-242 ◽

Cited By ~ 26

Author(s):

N. Karthikeyan ◽

J. Joseph Prince ◽

S. Ramalingam ◽

S. Periandy

Keyword(s):

Terephthalic Acid ◽

Spectroscopic Analysis ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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Spectroscopic studies (FT-IR, FT-Raman, UV–Visible), normal co-ordinate analysis, first-order hyperpolarizability and HOMO, LUMO studies of 3,4-dichlorobenzophenone by using Density Functional Methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.07.001 ◽

2015 ◽

Vol 151 ◽

pp. 644-654 ◽

Cited By ~ 4

Author(s):

K. Venkata Prasad ◽

K. Samatha ◽

D. Jagadeeswara Rao ◽

C. Santhamma ◽

S. Muthu ◽

...

Keyword(s):

Density Functional ◽

Spectroscopic Studies ◽

First Order ◽

Density Functional Methods ◽

Functional Methods ◽

Ft Ir ◽

Uv Visible ◽

Homo Lumo ◽

Ft Raman

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SYNTHESIS, DFT, SPECTROSCOPIC CHARACTERISATION (FT-IR, FT-RAMAN, NMR AND UV-VISIBLE) AND MOLECULAR DOCKING INVESTIGATION OF 3-(4- BROMOPHENYL)-1-(THIOPHEN-2-YL) PROP-2-EN-1 ONE

RASAYAN Journal of Chemistry ◽

10.31788/rjc.2019.1245436 ◽

2019 ◽

Vol 12 (04) ◽

pp. 2149-2165

Author(s):

P. Rajamani ◽

N. Sundaraganesan

Keyword(s):

Molecular Docking ◽

Ft Ir ◽

Uv Visible ◽

Spectroscopic Characterisation ◽

Ft Raman

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FT-Raman, FT-IR and NMR spectra, vibrational assignments and density functional studies of 1,3-bis(benzimidazol-2-yl)-2-thiapropane ligand and its Zn(II) halide complexes

Structural Chemistry ◽

10.1007/s11224-007-9238-y ◽

2007 ◽

Vol 19 (1) ◽

pp. 21-32 ◽

Cited By ~ 9

Author(s):

Naz Mohammed Aghatabay ◽

Metin Tulu ◽

Mehmet Somer ◽

Durata Haciu ◽

Ayberk Yilmaz

Keyword(s):

Density Functional ◽

Nmr Spectra ◽

Ir And Nmr Spectra ◽

Vibrational Assignments ◽

Functional Studies ◽

Halide Complexes ◽

Ft Ir ◽

Ft Raman

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Spectroscopic analysis (FT-IR, FT-Raman and NMR) and molecular docking study of ethyl 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-acetate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.05.004 ◽

2016 ◽

Vol 1119 ◽

pp. 451-461 ◽

Cited By ~ 8

Author(s):

Adel S. El-Azab ◽

K. Jalaja ◽

Alaa A.-M. Abdel-Aziz ◽

Abdulrahman M. Al-Obaid ◽

Y. Sheena Mary ◽

...

Keyword(s):

Molecular Docking ◽

Spectroscopic Analysis ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

Ft Raman

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FT-IR, UV–visible, and NMR Spectral Analyses, Molecular Structure, and Properties of Nevadensin Revealed by Density Functional Theory and Molecular Docking

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2018.1458741 ◽

2018 ◽

Vol 40 (2) ◽

pp. 540-552

Author(s):

Abhishek Kumar ◽

Ambrish Kumar Srivastava ◽

Shashi Kumar Gangwar ◽

Neeraj Misra ◽

Goutam Brahmachari ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Molecular Docking ◽

Density Functional ◽

Structure And Properties ◽

Functional Theory ◽

Spectral Analyses ◽

Ft Ir ◽

Uv Visible

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FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.11.016 ◽

2005 ◽

Vol 61 (13-14) ◽

pp. 2995-3001 ◽

Cited By ~ 325

Author(s):

N. Sundaraganesan ◽

S. Ilakiamani ◽

H. Saleem ◽

Piotr. M. Wojciechowski ◽

Danuta Michalska

Keyword(s):

Ir Spectra ◽

Density Functional ◽

Vibrational Assignments ◽

Functional Studies ◽

Ft Ir ◽

Ft Raman

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