Synthesis, crystal structure, vibrational profiling, DFT studies and molecular docking of N -(4-chloro-2-{[2-(1 H -indol-2-ylcarbonyl) hydrazinyl](oxo)acetyl}phenyl)acetamide.DMSO: A new antiproliferative agent

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.10.116 ◽

2018 ◽

Vol 1155 ◽

pp. 457-468 ◽

Cited By ~ 8

Author(s):

Reem I. Al-Wabli ◽

Asmaa Salman ◽

V. Shyni ◽

Hazem A. Ghabbour ◽

I. Hubert Joe ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Studies ◽

Antiproliferative Agent

Download Full-text

Synthesis, spectroscopic characterization, crystal structure, theoretical (DFT) studies and molecular docking analysis of biologically potent isopropyl 5-chloro-2-hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxylate

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2021.2024041 ◽

2022 ◽

pp. 1-22

Author(s):

Varun Sharma ◽

Indrajit Karmakar ◽

Goutam Brahmachari ◽

Vivek Kumar Gupta

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Spectroscopic Characterization ◽

Dft Studies ◽

Docking Analysis ◽

Molecular Docking Analysis

Download Full-text

Cocrystallization of 2,4-Diamino-6-phenyl-1,3,5-triazine with β-(phenylthio)propionic acid: Crystal structure, Hirshfeld surface, DFT studies and molecular docking

Chemical Data Collections ◽

10.1016/j.cdc.2020.100520 ◽

2020 ◽

Vol 29 ◽

pp. 100520

Author(s):

R. Nandini Asha ◽

V. Vel Murugan ◽

P. Pon Matheswari ◽

S. Kumaresan ◽

N. Bhuvanesh ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Propionic Acid ◽

Hirshfeld Surface ◽

Dft Studies ◽

Acid Crystal

Download Full-text

DFT calculation, molecular docking, biological activity and crystal structure of (E)-2-((4-tert-butylbenzylimino)methyl)-4-methoxy-phenol

Журнал структурной химии ◽

10.26902/jsc_id38727 ◽

2019 ◽

Vol 60 (1) ◽

Keyword(s):

Crystal Structure ◽

Biological Activity ◽

Molecular Docking ◽

Dft Calculation

Download Full-text

Crystal structure, characterization, Hirshfeld surface analysis and DFT studies of two [propane 3-bromo-1-(triphenyl phosphonium)] cations containing bromide (I) and tribromide (II) anions: The anion (II) as a new brominating agent for unsaturated compounds

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.05.127 ◽

2019 ◽

Vol 1195 ◽

pp. 542-554 ◽

Cited By ~ 1

Author(s):

Seyed Reza Nokhbeh ◽

Mostafa Gholizadeh ◽

Alireza Salimi ◽

Hazel A. Sparkes

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Structure Characterization ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

Unsaturated Compounds ◽

Triphenyl Phosphonium ◽

Phosphonium Cations

Download Full-text

Correction to: A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

JBIC Journal of Biological Inorganic Chemistry ◽

10.1007/s00775-021-01880-w ◽

2021 ◽

Author(s):

Davut Avcı ◽

Sümeyye Altürk ◽

Fatih Sönmez ◽

Ömer Tamer ◽

Adil Başoğlu ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Mixed Ligand ◽

Glucosidase Inhibitor

Download Full-text

Synthesis, crystal structure, DFT, α-glucosidase and α-amylase inhibition and molecular docking studies of (E)-N'-(4-chlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131067 ◽

2021 ◽

pp. 131067

Author(s):

Khalid Karrouchi ◽

Saad Fettach ◽

El Hassane Anouar ◽

Burak Tüzün ◽

Smaail Radi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Docking Studies ◽

Molecular Docking Studies

Download Full-text

Design, synthesis, crystal structure, molecular docking studies of some diorganotin(IV) complexes derived from the piperonylic hydrazide Schiff base ligands as cytotoxic agents

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.129992 ◽

2021 ◽

Vol 1232 ◽

pp. 129992

Author(s):

Jai Devi ◽

Jyoti Yadav ◽

Kashmiri Lal ◽

Nikhil Kumar ◽

Avijit Kumar Paul ◽

...

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Molecular Docking ◽

Docking Studies ◽

Cytotoxic Agents ◽

Schiff Base Ligands ◽

Design Synthesis ◽

Molecular Docking Studies

Download Full-text

Crystal structure of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole and molecular docking studies of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole and 5-methyl-1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3-phenyl-1H-pyrazole towards tyrosine kinases

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130345 ◽

2021 ◽

pp. 130345

Author(s):

Kayed Abu-Safieh ◽

Musa I. El-Barghouthi ◽

Monther A. Khanfar ◽

Bader A. Salameh ◽

Islam S. Al-Aqrabawi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Tyrosine Kinases ◽

Docking Studies ◽

Molecular Docking Studies

Download Full-text

Molecular docking and DFT studies of a series of tetrazole derivatives and computational studies of Fe3O4@Phenyl phosphate creatine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130389 ◽

2021 ◽

Vol 1238 ◽

pp. 130389

Author(s):

Farzane Pazoki ◽

Razieh Esfandiarpour ◽

Fatemeh Mohsenzadeh ◽

Fahimeh Mohammadpanah ◽

Akbar Heydari

Keyword(s):

Molecular Docking ◽

Computational Studies ◽

Dft Studies ◽

Phenyl Phosphate ◽

Tetrazole Derivatives

Download Full-text

Synthesis, crystal structure, DFT, molecular docking and antitumor activity of 4-(2-chlorobenzyl)-1-(5-fluoro-2-hydroxy-3-((4-methylpiperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

Research on Chemical Intermediates ◽

10.1007/s11164-021-04491-x ◽

2021 ◽

Author(s):

Zhi-xu Zhou ◽

Qing-mei Wu ◽

Zhu-yan Huang ◽

De-hou Yu ◽

Hong-guang Lu

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Antitumor Activity ◽

Methyl Phenyl

Download Full-text