Study of supramolecular self-assembly of pyridone and dihydropyridone co-crystal: Synthesis, crystal structure, Hirshfeld surface, DFT and molecular docking studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130214 ◽

2021 ◽

Vol 1235 ◽

pp. 130214

Author(s):

Lalhruaizela ◽

Brilliant N. Marak ◽

Dipanta Gogoi ◽

Jayanta Dowarah ◽

Balkaran S. Sran ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Self Assembly ◽

Docking Studies ◽

Hirshfeld Surface ◽

Molecular Docking Studies ◽

Crystal Synthesis

Download Full-text

Analysis of supramolecular self-assembly of two chromene derivatives: Synthesis, crystal structure, Hirshfeld surface, quantum computational and molecular docking studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129104 ◽

2021 ◽

Vol 1225 ◽

pp. 129104 ◽

Cited By ~ 2

Author(s):

Mahesha ◽

T.C. Raveesha ◽

M.K. Hema ◽

K.J. Pampa ◽

P.G. Chandrashekara ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Self Assembly ◽

Docking Studies ◽

Hirshfeld Surface ◽

Molecular Docking Studies

Download Full-text

Corrigendum to “Copper(II) complexes based on thiosemicarbazone ligand: Preparation, crystal structure, Hirshfeld surface, energy framework, antiMycobacterium activity, in silico and molecular docking studies” [J. Inorg. Biochem. 223 (2021), 111543]

Journal of Inorganic Biochemistry ◽

10.1016/j.jinorgbio.2021.111623 ◽

2021 ◽

pp. 111623

Author(s):

Rafael A.C. Souza ◽

Waleska R.P. Costa ◽

Eduardo de F. Franca ◽

Meliza A. de S. Bessa ◽

Ralciane de P. Menezes ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Energy ◽

In Silico ◽

Docking Studies ◽

Hirshfeld Surface ◽

Molecular Docking Studies ◽

Thiosemicarbazone Ligand

Download Full-text

Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies and DFT calculations, and antioxidant activity of 2-oxo-1,2-dihydroquinoline-4-carboxylate derivatives

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.03.103 ◽

2019 ◽

Vol 1188 ◽

pp. 255-268 ◽

Cited By ~ 11

Author(s):

Yassir Filali Baba ◽

Yusuf Sert ◽

Youssef Kandri Rodi ◽

Sonia Hayani ◽

Joel T. Mague ◽

...

Keyword(s):

Crystal Structure ◽

Antioxidant Activity ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies

Download Full-text

Crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking studies on pyridine derivatives as potential inhibitors of NAMPT

Chemical Data Collections ◽

10.1016/j.cdc.2019.100262 ◽

2019 ◽

Vol 23 ◽

pp. 100262

Author(s):

M. Venkateshan ◽

R. Vishnu Priya ◽

M. Muthu ◽

J. Suresh ◽

R. Ranjith Kumar

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Pyridine Derivatives ◽

Molecular Docking Studies ◽

Potential Inhibitors

Download Full-text

Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies on benzohydrazide derivatives as potential inhibitors of prostate cancer

Chemical Data Collections ◽

10.1016/j.cdc.2020.100350 ◽

2020 ◽

Vol 26 ◽

pp. 100350

Author(s):

H.A. Arjun ◽

Ravi Kumar Rajan ◽

R. Elancheran ◽

M. Ramanathan ◽

Atanu Bhattacharjee ◽

...

Keyword(s):

Crystal Structure ◽

Prostate Cancer ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies ◽

Potential Inhibitors

Download Full-text

New Tetrazoles compounds Incorporating Galactose moiety: synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies, DFT calculations and anti-corrosion property anticipation

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131300 ◽

2021 ◽

pp. 131300

Author(s):

Riham Sghyar ◽

Yusuf Sert ◽

Brahim El Ibrahimi ◽

Oussama Moussaoui ◽

El Mestafa EL Hadrami ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Corrosion Property ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies

Download Full-text

Copper(II) complexes based on thiosemicarbazone ligand: Preparation, crystal structure, Hirshfeld surface, energy framework, antiMycobacterium activity, in silico and molecular docking studies

Journal of Inorganic Biochemistry ◽

10.1016/j.jinorgbio.2021.111543 ◽

2021 ◽

pp. 111543

Author(s):

Rafael A.C. Souza ◽

Waleska R.P. Costa ◽

Eduardo de Franca Faria ◽

Meliza A. de S. Bessa ◽

Ralciane deP. Menezes ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Energy ◽

In Silico ◽

Docking Studies ◽

Hirshfeld Surface ◽

Molecular Docking Studies ◽

Thiosemicarbazone Ligand

Download Full-text

New alkyl (cyclohexyl) 2-oxo-1-(prop‑2-yn-1-yl)-1, 2-dihydroquinoline-4-carboxylates: Synthesis, crystal structure, spectroscopic characterization, hirshfeld surface analysis, molecular docking studies and DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129520 ◽

2021 ◽

Vol 1227 ◽

pp. 129520

Author(s):

Sonia Hayani ◽

Yusuf Sert ◽

Yassir Filali Baba ◽

Fouad Benhiba ◽

Fouad Ouazzani Chahdi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies

Download Full-text

Crystal structure, Hirshfeld surface analysis, and molecular docking studies of 3,3′-((4-(trifluoromethyl)phenyl) methylene)bis(1-methyl-1H-indole)

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1852747 ◽

2021 ◽

Vol 714 (1) ◽

pp. 67-79

Author(s):

Varun Sharma ◽

Sanchari Begam ◽

Indrajit Karmakar ◽

Goutam Brahmachari ◽

Vivek Kumar Gupta

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies

Download Full-text

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, DFT, AIM, ELF, RDG and molecular docking studies of bis[4-(dimethylamino)pyridinium]di-µ-chlorido-bis[dichloridomercurate(II)]

Journal of Coordination Chemistry ◽

10.1080/00958972.2021.2006649 ◽

2021 ◽

pp. 1-20

Author(s):

Mouna Harzallah ◽

Mouna Medimagh ◽

Noureddine Issaoui ◽

Thierry Roisnel ◽

Ayed Brahim

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

X Ray ◽

Molecular Docking Studies

Download Full-text