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

X Ray ◽

X Ray Crystallography

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 ◽

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 ◽

Borax Catalysed Domino Synthesis of Highly Functionalised Spirooxindole and Chromenopyridine Derivatives: X‐Ray Structure, Hirshfeld Surface Analysis and Molecular Docking Studies

ChemistrySelect ◽

10.1002/slct.201801867 ◽

2018 ◽

Vol 3 (30) ◽

pp. 8669-8677 ◽

Cited By ~ 8

Author(s):

Aniruddha Molla ◽

Subham Ranjan ◽

Mugada Sugunakara Rao ◽

Arif Hassan Dar ◽

Mousumi Shyam ◽

...

Keyword(s):

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

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, single crystal (XRD), Hirshfeld surface analysis, computational study (DFT) and molecular docking studies of (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-(pyrimidine)-2-yl) benzenesulfonamide

Heliyon ◽

10.1016/j.heliyon.2021.e07724 ◽

2021 ◽

pp. e07724

Author(s):

N. Elangovan ◽

S. Sowrirajan

Keyword(s):

Molecular Docking ◽

Single Crystal ◽

Surface Analysis ◽

Computational Study ◽

Docking Studies ◽

Hirshfeld Surface ◽

Single Crystal Xrd ◽

Synthesis, crystal structures, Hirshfeld surface analysis, theoretical insight and molecular docking studies of dinuclear and triply bridged Cu(II) carboxylate complexes with 2,2’-bipyridine or 1,10-phenanthroline

Polyhedron ◽

10.1016/j.poly.2021.115502 ◽

2021 ◽

pp. 115502

Author(s):

Abiodun A. Ajibola ◽

Kyle A. Grice ◽

Fouzia Perveen ◽

Agnieszka Wojciechowska ◽

Lesław Sieroń ◽

...

Keyword(s):

Molecular Docking ◽

Crystal Structures ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Carboxylate Complexes ◽

Theoretical Insight

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 ◽

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 ◽

Potential Inhibitors

Quantum chemical calculations, Hirshfeld surface analysis, and molecular docking studies of antibacterial (E)-N′-((1H-Indol-3-yl)methylene)-4-bromobenzohydrazide

Spectroscopy Letters ◽

10.1080/00387010.2019.1651339 ◽

2019 ◽

Vol 52 (7) ◽

pp. 398-412

Author(s):

Aslı Eşme

Keyword(s):

Molecular Docking ◽

Quantum Chemical Calculations ◽

Surface Analysis ◽

Quantum Chemical ◽

Docking Studies ◽

Hirshfeld Surface ◽

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 ◽

Potential Inhibitors