FT-IR and FT-Raman investigation, quantum chemical analysis and molecular docking studies of 5-(4-Propan-2-yl)benzylidene)-2-[3-(4-chlorophenyl)-5[4-(propan-2-yl)phenyl-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129070 ◽

2021 ◽

Vol 1225 ◽

pp. 129070

Author(s):

K. Venil ◽

A. Lakshmi ◽

V. Balachandran ◽

B. Narayana ◽

Vinutha V. Salian

Keyword(s):

Molecular Docking ◽

Chemical Analysis ◽

Quantum Chemical ◽

Docking Studies ◽

Quantum Chemical Analysis ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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Synthesis, molecular structure, quantum chemical analysis, spectroscopic and molecular docking studies of N-(Morpholinomethyl) succinimide using DFT method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.07.101 ◽

2019 ◽

Vol 1175 ◽

pp. 609-623 ◽

Cited By ~ 6

Author(s):

K. Sarojinidevi ◽

P. Subramani ◽

Mani Jeeva ◽

N. Sundaraganesan ◽

Maria SusaiBoobalan ◽

...

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Chemical Analysis ◽

Quantum Chemical ◽

Dft Method ◽

Docking Studies ◽

Quantum Chemical Analysis ◽

Molecular Docking Studies

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Spectroscopic (FT-IR, FT-Raman) investigations, quantum chemical calculations, ADMET and molecular docking studies of phloretin with B-RAF inhibitor

Chemical Papers ◽

10.1007/s11696-021-01576-0 ◽

2021 ◽

Author(s):

M. Govindammal ◽

M. Prasath ◽

M. Selvapandiyan

Keyword(s):

Molecular Docking ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Docking Studies ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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Conformational analysis, X-ray crystallographic, FT-IR, FT-Raman, DFT, MEP and molecular docking studies on 1-(1-(3-methoxyphenyl) ethylidene) thiosemicarbazide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.12.026 ◽

2015 ◽

Vol 139 ◽

pp. 321-328 ◽

Cited By ~ 8

Author(s):

R.R. Saravanan ◽

S. Seshadri ◽

S. Gunasekaran ◽

R. Mendoza-Meroño ◽

S. Garcia-Granda

Keyword(s):

Molecular Docking ◽

Conformational Analysis ◽

Docking Studies ◽

X Ray ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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Synthesis, crystal structure analysis, spectral (NMR, FT-IR, FT-Raman and UV–Vis) investigations, molecular docking studies, antimicrobial studies and quantum chemical calculations of a novel 4-chloro-8-methoxyquinoline-2(1H)-one: An effective antimicrobial agent and an inhibition of DNA gyrase and lanosterol-14α-demethylase enzymes

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.11.035 ◽

2017 ◽

Vol 1131 ◽

pp. 51-72 ◽

Cited By ~ 10

Author(s):

S. Murugavel ◽

S. Sundramoorthy ◽

D. Lakshmanan ◽

R. Subashini ◽

P. Pavan Kumar

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Antimicrobial Agent ◽

Quantum Chemical ◽

Dna Gyrase ◽

Docking Studies ◽

Crystal Structure Analysis ◽

Antimicrobial Studies ◽

Ft Ir ◽

Ft Raman

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Spectroscopic (FT-IR, FT Raman and UV-Vis), Quantum Computational and Molecular Docking studies on Propylthiouracil

Analytical Chemistry Letters ◽

10.1080/22297928.2021.1968315 ◽

2021 ◽

Vol 11 (6) ◽

pp. 771-791

Author(s):

A. Anuradha ◽

Rinnu Sara Saji ◽

Johanan Christian Prasana ◽

S. Muthu ◽

Fathima Rizwana B

Keyword(s):

Molecular Docking ◽

Docking Studies ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2021.1896561 ◽

2021 ◽

pp. 1-24

Author(s):

Towseef Ahmad Hajam ◽

H. Saleem ◽

M. Syed Ali Padhusha ◽

K. K. Mohammed Ameen

Keyword(s):

Molecular Docking ◽

Docking Studies ◽

Quantum Mechanical ◽

Molecular Docking Studies ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Ft Ir ◽

Ft Raman

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DFT and experimental (FT-IR and FT-Raman) investigation of vibrational spectroscopy and molecular docking studies of 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-N-(3,4,5-trimethoxyphenyl) acetamide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.02.038 ◽

2016 ◽

Vol 1113 ◽

pp. 133-145 ◽

Cited By ~ 30

Author(s):

Adel S. El-Azab ◽

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

Alaa A.-M. Abdel-Aziz ◽

Magda A. El-Sherbeny ◽

...

Keyword(s):

Molecular Docking ◽

Vibrational Spectroscopy ◽

Docking Studies ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies

Heliyon ◽

10.1016/j.heliyon.2020.e04976 ◽

2020 ◽

Vol 6 (9) ◽

pp. e04976 ◽

Cited By ~ 1

Author(s):

M. Habib Rahuman ◽

S. Muthu ◽

B.R. Raajaraman ◽

M. Raja ◽

H. Umamahesvari

Keyword(s):

Acetic Acid ◽

Molecular Docking ◽

Docking Studies ◽

Fukui Function ◽

Molecular Docking Studies ◽

Vis Spectroscopy ◽

Ft Ir ◽

Homo Lumo ◽

Ft Raman

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Conformational, spectroscopic (FT-IR, FT-Raman, and UV-Vis), and molecular docking studies of N-(2-hydroxyethyl) succinimide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.06.019 ◽

2019 ◽

Vol 1195 ◽

pp. 451-461 ◽

Cited By ~ 2

Author(s):

A. Eşme ◽

S.G. Sagdinc

Keyword(s):

Molecular Docking ◽

Docking Studies ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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Spectroscopic (FT-IR and FT-Raman), quantum computational (DFT) and molecular docking studies on 2(E)-(4-N,N-dimethylaminobenzylidene)-5-methylcyclohexanone

Materials Today Proceedings ◽

10.1016/j.matpr.2020.08.221 ◽

2020 ◽

Author(s):

J. Christina Jebapriya ◽

Johanan Christian Prasana ◽

S. Muthu ◽

B. Fathima Rizwana

Keyword(s):

Molecular Docking ◽

Docking Studies ◽

Molecular Docking Studies ◽

Ft Ir ◽

Ft Raman

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