Synthesis, Structural, Molecular Docking and Hirshfeld Surface Analysis of (2-((6-chloropyridin-3-yl)methoxy)-5
bromophenyl) (4-chlorophenyl) methanone

B. N. Lakshminarayana; T. N. Mahadeva Prasad; N. R. Sreenatha; D. P. Ganesha; B. K. Manuprasad; S. Nagaraju

doi:10.29055/jccs/580

Synthesis, Structural, Molecular Docking and Hirshfeld Surface Analysis of (2-((6-chloropyridin-3-yl)methoxy)-5 bromophenyl) (4-chlorophenyl) methanone

Journal of Chemistry and Chemical Sciences ◽

10.29055/jccs/580 ◽

2018 ◽

Vol 8 (2) ◽

pp. 250-258

Author(s):

B. N. Lakshminarayana ◽

T. N. Mahadeva Prasad ◽

N. R. Sreenatha ◽

D. P. Ganesha ◽

B. K. Manuprasad ◽

...

Keyword(s):

Molecular Docking ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

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α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins

Tetrahedron ◽

10.1016/j.tet.2021.132376 ◽

2021 ◽

pp. 132376

Author(s):

Larisa E. Alkhimova ◽

Maria G. Babashkina ◽

Damir A. Safin

Keyword(s):

Molecular Docking ◽

Crystal Structures ◽

Surface Analysis ◽

In Silico ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Computational Studies ◽

In Silico Molecular Docking

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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 ◽

Hirshfeld Surface Analysis ◽

Single Crystal Xrd ◽

Molecular Docking Studies

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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 ◽

Hirshfeld Surface Analysis ◽

Carboxylate Complexes ◽

Molecular Docking Studies ◽

Theoretical Insight

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Design and synthesis of sulfur cross-linked 1,3,4-oxadiazole-nitro(furan/thiophene)-propenones as dual inhibitors of inflammation and tuberculosis: molecular docking and Hirshfeld surface analysis

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-019-02507-2 ◽

2019 ◽

Vol 150 (11) ◽

pp. 1999-2010

Author(s):

Vishwanath Turukarabettu ◽

Balakrishna Kalluraya ◽

Monika Sharma

Keyword(s):

Molecular Docking ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Design And Synthesis ◽

Dual Inhibitors

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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

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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

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A novel manganese(II) bisthiocarbohydrazone complex: Crystal structures, Hirshfeld surface analysis, DFT and molecular docking study with SARS-CoV-2

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131125 ◽

2021 ◽

pp. 131125

Author(s):

K.K. Mohammed Hashim ◽

E. Manoj ◽

M.R. Prathapachandra Kurup

Keyword(s):

Molecular Docking ◽

Crystal Structures ◽

Surface Analysis ◽

Docking Study ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Study ◽

Complex Crystal

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Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins

Journal of the Iranian Chemical Society ◽

10.1007/s13738-021-02438-y ◽

2021 ◽

Author(s):

Tatyana M. Burkhanova ◽

Maria G. Babashkina ◽

Tugba Taskin-Tok ◽

Artem V. Sharov ◽

Damir A. Safin

Keyword(s):

Molecular Docking ◽

Crystal Structures ◽

Surface Analysis ◽

Computational Study ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Aniline Dyes

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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 ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies

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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

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