Spectroscopic (FT-IR, FT-Raman, UV, NMR, NBO, NLO) investigation and molecular docking study of (R)-2-Methylamino-1-Phenylethanol (Halostachine)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.07.017 ◽

2016 ◽

Vol 1125 ◽

pp. 576-591 ◽

Cited By ~ 5

Author(s):

K. Subashini ◽

R. Govindarajan ◽

R. Surendran ◽

K. Mukund ◽

S. Periandy

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

Ft Raman

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FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.12.064 ◽

2015 ◽

Vol 140 ◽

pp. 1-14 ◽

Cited By ~ 10

Author(s):

Maha S. Almutairi ◽

Amer M. Alanazi ◽

Ebtehal S. Al-Abdullah ◽

Ali A. El-Emam ◽

Shilendra K. Pathak ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Raman Spectroscopic ◽

Ft Ir ◽

Spectroscopic Signatures ◽

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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Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2015.07.024 ◽

2015 ◽

Vol 87 ◽

pp. 110-121 ◽

Cited By ~ 9

Author(s):

R. Renjith ◽

Y. Sheena Mary ◽

Hema Tresa Varghese ◽

C. Yohannan Panicker ◽

Thies Thiemann ◽

...

Keyword(s):

Molecular Docking ◽

Spectroscopic Investigation ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Ft Raman

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Spectroscopic (FT-IR, FT-RAMAN, NMR, UV–Vis) investigations, computational analysis and molecular docking study of 5-bromo-2-hydroxy pyrimidine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128494 ◽

2020 ◽

Vol 1218 ◽

pp. 128494 ◽

Cited By ~ 3

Author(s):

B. Chandralekha ◽

Rajagopal Hemamalini ◽

S. Muthu ◽

S. Sevvanthi

Keyword(s):

Molecular Docking ◽

Computational Analysis ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

Ft Raman

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Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO, NBO, MEP analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)-pyrimidine-5-carbonitrile, a potential chemotherapeutic agent

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.12.043 ◽

2015 ◽

Vol 139 ◽

pp. 413-424 ◽

Cited By ~ 8

Author(s):

Nourah Z. Alzoman ◽

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

Ibrahim A. Al-Swaidan ◽

Ali A. El-Emam ◽

...

Keyword(s):

Molecular Docking ◽

Spectroscopic Investigation ◽

Chemotherapeutic Agent ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Ft Raman

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Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO–LUMO analysis and molecular docking study of Opipramol

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.08.106 ◽

2015 ◽

Vol 137 ◽

pp. 547-559 ◽

Cited By ~ 9

Author(s):

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

C.N. Kavitha ◽

H.S. Yathirajan ◽

M.S. Siddegowda ◽

...

Keyword(s):

Molecular Docking ◽

Spectroscopic Investigation ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Ft Raman

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Spectroscopic (FT-IR, FT-Raman, UV, NMR, NLO) investigation and molecular docking study of 1-(4-Methylbenzyl) piperazine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.12.048 ◽

2017 ◽

Vol 1134 ◽

pp. 157-170 ◽

Cited By ~ 4

Author(s):

K. Subashini ◽

S. Periandy

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

Ft Raman

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Spectroscopic (FT-IR, FT-Raman, NBO) investigation and molecular docking study of a herbicide compound Bifenox

Chemical Data Collections ◽

10.1016/j.cdc.2020.100393 ◽

2020 ◽

Vol 27 ◽

pp. 100393

Author(s):

G. Karpagakalyaani ◽

J. Daisy Magdaline ◽

T. Chithambarathanu ◽

D. Aruldhas ◽

A. Ronaldo Anuf

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

Ft Raman

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FT-IR and FT-Raman investigation, quantum chemical studies, molecular docking study and antimicrobial activity studies on novel bioactive drug of 1-(2,4-Dichlorobenzyl)-3-[2-(3-(4-chlorophenyl)-5-(4-(propan-2-yl)phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5(4H)-ylidence]-2,3-dihydro-1H-indol-2-one

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128244 ◽

2020 ◽

Vol 1215 ◽

pp. 128244 ◽

Cited By ~ 2

Author(s):

A. Viji ◽

V. Balachandran ◽

S. Babiyana ◽

B. Narayana ◽

Vinutha V. Salian

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Quantum Chemical ◽

Docking Study ◽

Molecular Docking Study ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Ft Raman

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Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.03.117 ◽

2017 ◽

Vol 1141 ◽

pp. 284-298 ◽

Cited By ~ 54

Author(s):

M. Raja ◽

R. Raj Muhamed ◽

S. Muthu ◽

M. Suresh

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Fukui Function ◽

Molecular Docking Study ◽

Ft Ir ◽

Uv Visible ◽

Homo Lumo ◽

Ft Raman

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