Vibrational Spectra, Quantum Mechanical Calculations and Molecular Docking Analysis of (2E,4E,6E,8E)-9-
(4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethylnona-2,4,6,8-Tetraenoic Acid

Spectroscopic, Quantum Mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and Molecular docking analysis of an anti-cancer drug Bendamustine

10.1016/j.molstruc.2021.132211 ◽

2021 ◽

pp. 132211

Author(s):

P.Venkata Ramana ◽

Tom Sundius ◽

S. Muthu ◽

K.Chandra Mouli ◽

Y. Rama Krishna ◽

...

Keyword(s):

Molecular Docking ◽

Electronic Excitation ◽

Cancer Drug ◽

Quantum Mechanical ◽

Docking Analysis ◽

Anti Cancer ◽

Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.03.043 ◽

2014 ◽

Vol 130 ◽

pp. 591-603 ◽

Cited By ~ 6

Author(s):

D.M. Suresh ◽

M. Amalanathan ◽

I. Hubert Joe ◽

V. Bena Jothy ◽

Yun-Peng Diao

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Vibrational Spectra ◽

Docking Analysis ◽

Quantum mechanical computation, spectroscopic exploration and molecular docking analysis of 2-Bromo-4-fluoroacetanilide

10.1016/j.molstruc.2020.128639 ◽

2020 ◽

Vol 1220 ◽

pp. 128639 ◽

Cited By ~ 3

Author(s):

K. Arulaabaranam ◽

S. Muthu ◽

G. Mani ◽

S. Sevvanthi

Keyword(s):

Molecular Docking ◽

Quantum Mechanical ◽

Docking Analysis ◽

Quantum Mechanical Computation ◽

Quantum mechanical, spectroscopic studies and molecular docking analysis on 5,5-diphenylimidazolidine-2,4-dione

10.1016/j.molstruc.2017.08.015 ◽

2017 ◽

Vol 1149 ◽

pp. 487-498 ◽

Cited By ~ 7

Author(s):

S. Sevvanthi ◽

S. Muthu ◽

M. Raja

Keyword(s):

Molecular Docking ◽

Spectroscopic Studies ◽

Quantum Mechanical ◽

Docking Analysis ◽

Spectroscopic (FT-IR, FT-Raman, UV-Visible), Quantum Mechanical Based Computational Studies and Molecular Docking Analysis of 2-Amino-3,5-dichloropyridine

Analytical Chemistry Letters ◽

10.1080/22297928.2021.1981440 ◽

2021 ◽

Vol 11 (6) ◽

pp. 848-861

Author(s):

S. Selvakumari ◽

C. Venkataraju ◽

S. Muthu ◽

Ahmad Irfan ◽

S. Sevvanthi ◽

...

Keyword(s):

Molecular Docking ◽

Quantum Mechanical ◽

Computational Studies ◽

Docking Analysis ◽

Ft Ir ◽

Uv Visible ◽

Molecular Docking Analysis ◽

Ft Raman

Synthesis, Spectra (FT-IR, NMR) investigations, DFT study, in silico ADMET and Molecular docking analysis of 2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile as a potential anti-tubercular agent.

10.1016/j.molstruc.2021.130880 ◽

2021 ◽

pp. 130880

Author(s):

Queen S. Obu ◽

Hitler Louis ◽

Joseph O. Odey ◽

Ishegbe Joyce Eko ◽

Shuaibu Abdullahi ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Dft Study ◽

Docking Analysis ◽

In Silico Admet ◽

Ft Ir ◽

Cytotoxicity and molecular docking analysis of racemolactone I, a new sesquiterpene lactone isolated from Inula racemosa

Pharmaceutical Biology ◽

10.1080/13880209.2021.1946090 ◽

2021 ◽

Vol 59 (1) ◽

pp. 943-954

Author(s):

Perwez Alam ◽

Rama Tyagi ◽

Mohammad Abul Farah ◽

Md. Tabish Rehman ◽

Afzal Hussain ◽

...

Keyword(s):

Molecular Docking ◽

Sesquiterpene Lactone ◽

Docking Analysis ◽

Inula Racemosa ◽

Phytochemical profile, enzyme inhibition activity and molecular docking analysis of Feijoa sellowiana O. Berg

Journal of Enzyme Inhibition and Medicinal Chemistry ◽

10.1080/14756366.2021.1880397 ◽

2021 ◽

Vol 36 (1) ◽

pp. 618-626 ◽

Cited By ~ 1

Author(s):

Fatema R. Saber ◽

Rehab M. Ashour ◽

Ali M. El-Halawany ◽

Mohamad Fawzi Mahomoodally ◽

Gunes Ak ◽

...

Keyword(s):

Molecular Docking ◽

Enzyme Inhibition ◽

Inhibition Activity ◽

Docking Analysis ◽

Phytochemical Profile ◽

Phytochemical bioaccessibility and in vitro anti‐diabetic effects of Chinese sumac ( Rhus chinensis Mill.) fruits after a simulated digestion: insights into the mechanisms with molecular docking analysis

International Journal of Food Science & Technology ◽

10.1111/ijfs.15238 ◽

2021 ◽

Author(s):

Yishan Fu ◽

Xiaojing Liu ◽

Qian Ma ◽

Junjie Yi ◽

Shengbao Cai

Keyword(s):

Molecular Docking ◽

Docking Analysis ◽

Simulated Digestion ◽

Rhus Chinensis ◽

Kaempferol attenuates spinal cord injury by interfering inflammatory and oxidative stress by targeting the p53 protein: a molecular docking analysis

Molecular & Cellular Toxicology ◽

10.1007/s13273-021-00132-x ◽

2021 ◽

Author(s):

Lu Chen ◽

Kai Cao ◽

Yurong Gu ◽

Chao Luo ◽

Wei Mao ◽

...

Keyword(s):

Oxidative Stress ◽

Spinal Cord ◽

Spinal Cord Injury ◽

Molecular Docking ◽

P53 Protein ◽

Protein A ◽

Docking Analysis ◽

Cord Injury ◽

And Oxidative Stress ◽