The crystal structure of sulfamethoxazole, interaction with DNA, DFT calculation, and molecular docking studies

New DNA-Interactive Manganese(II) Complex of Amidooxime: Crystal Structure, DFT Calculation, Biophysical and Molecular Docking Studies

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.0c00529 ◽

2020 ◽

Vol 65 (11) ◽

pp. 5393-5404

Author(s):

Urmila Saha ◽

Malay Dolai ◽

Gopinatha Suresh Kumar ◽

Ray J. Butcher ◽

Saugata Konar

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculation ◽

Docking Studies ◽

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

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 ◽

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

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 ◽

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

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 ◽

Seven-Membered Azabridged Neonicotinoids: Synthesis, Crystal Structure, Insecticidal Assay, and Molecular Docking Studies

Journal of Agricultural and Food Chemistry ◽

10.1021/jf504014y ◽

2014 ◽

Vol 62 (46) ◽

pp. 11070-11079 ◽

Cited By ~ 9

Author(s):

Renbo Xu ◽

Ming Luo ◽

Rui Xia ◽

Xiaoqing Meng ◽

Xiaoyong Xu ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Docking Studies ◽

Synthesis, characterization, DFT calculation, Antifungal, Antioxidant, CT-DNA/pBR322 DNA interaction and molecular docking studies of heterocyclic analogs

10.1016/j.molstruc.2021.131248 ◽

2021 ◽

pp. 131248

Author(s):

Rabiya Mehandi ◽

Rizwan Arif ◽

Manish Rana ◽

Saiema Ahmedi ◽

Razia Sultana ◽

...

Keyword(s):

Molecular Docking ◽

Dft Calculation ◽

Dna Interaction ◽

Docking Studies ◽

Molecular Docking Studies ◽

Pbr322 Dna ◽

Ct Dna

Synthesis, spectroscopic and crystal structure of nickel(II) complex of thiosemicarbazone basedSchiff base: Antimicrobial, anticancer and molecular docking studies

Inorganic Chemistry Communications ◽

10.1016/j.inoche.2021.108850 ◽

2021 ◽

pp. 108850

Author(s):

Balasubramanian Karpagam ◽

Murugesan Sankarganesh ◽

Lokesh Ravi ◽

Mookkandi Palsamy Kesavan ◽

Gujuluva Gangatharan Vinothkumar ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Docking Studies ◽

Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl)methyl)naphthalen-2-ol

10.1016/j.molstruc.2021.131164 ◽

2021 ◽

pp. 131164

Author(s):

P. Vennila ◽

G. Venkatesh ◽

Yudibeth Sixto-López ◽

C. Kamal ◽

S. Kaya ◽

...

Keyword(s):

Molecular Docking ◽

Dft Calculation ◽

Mannich Base ◽

Spectroscopic Characterization ◽

Docking Studies ◽

A NEW LA(Ⅲ) COMPLEX CONSTRUCTED BY LONG FLEXIBLE LIGAND: CRYSTAL STRUCTURE, DNA BINDING AND MOLECULAR DOCKING STUDIES

Журнал структурной химии ◽

10.26902/jsc_id76145 ◽

2021 ◽

Vol 62 (7) ◽

Author(s):

M.C. Zhu

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dna Binding ◽

Docking Studies ◽

Molecular Docking Studies ◽

Flexible Ligand

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