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)]

X Ray ◽

Synthesis, Spectral techniques, X-ray Crystal structure, DFT method, Hirshfeld surface analysis and Molecular docking studies of 1-(furan-2-yl)methyl)-4,5-diphenyl-2-(p-tolyl)-1H-imidazole

10.1016/j.cdc.2020.100421 ◽

2020 ◽

Vol 28 ◽

pp. 100421 ◽

Cited By ~ 1

Author(s):

L. Athishu Anthony ◽

D. Rajaraman ◽

M. Shanmugam ◽

K. Krishnasamy

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Dft Method ◽

Docking Studies ◽

Hirshfeld Surface ◽

Spectral Techniques ◽

X Ray ◽

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, DFT, MESP and molecular docking studies of 2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)-4,5-diphenyl-1H-imidazole

10.1016/j.cdc.2019.100237 ◽

2019 ◽

Vol 21 ◽

pp. 100237 ◽

Cited By ~ 3

Author(s):

A. Jayashree ◽

B. Narayana ◽

S. Madan Kumar ◽

K.R. Raghi ◽

B.K. Sarojini ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

X Ray ◽

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

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 ◽

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

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 ◽

Pyridine Derivatives ◽

Molecular Docking Studies ◽

Potential Inhibitors

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

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 ◽

Molecular Docking Studies ◽

Potential Inhibitors

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

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 ◽

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

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 ◽

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 ◽

2,4-bis(bromomethyl)-1,3,5-trimethylbenzene with 2-mercaptopyridine based derivative: Synthesis, Crystal Structure, in vitro anticancer activity, DFT, Hirshfeld Surface Analysis, Antioxidant, DNA binding and Molecular docking studies

10.1016/j.molstruc.2021.131981 ◽

2021 ◽

pp. 131981

Author(s):

Radhakrishnan Nandini Asha ◽

Caroline Daisy ◽

Nattamai Bhuvanesh ◽

Balasingh Ravindran Durai Nayagam

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dna Binding ◽

Anticancer Activity ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Chemical Synthesis, X-ray Crystallography, Hirshfeld Surface Analysis, and Molecular Docking Studies of (E)-2-(((3-Bromophenyl)imino)methyl)-5-(diethylamino)phenol Schiff Base

Crystallography Reports ◽

10.1134/s1063774521060158 ◽

2021 ◽

Vol 66 (6) ◽

pp. 1023-1030

Author(s):

Madhukar Hemamalini ◽

İrem Kestek ◽

Emine Berrin Çınar ◽

Ayşen Alaman Agar ◽

Necmi Dege ◽

...

Keyword(s):

Schiff Base ◽

Molecular Docking ◽

Chemical Synthesis ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

X Ray ◽

Molecular Docking Studies ◽

X Ray Crystallography