Anti-diabetic potential, crystal structure, molecular docking, DFT, and optical-electrochemical Studies of new Dimethyl and Diethyl Carbamoyl-N, N'-disubstituted based thioureas

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.132207 ◽

2021 ◽

pp. 132207

Author(s):

Mehmand Khan ◽

Jahangeer Patujo ◽

Iram Mushtaq ◽

Ayesha Ishtiaq ◽

Muhammad Nawaz Tahir ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Electrochemical Studies

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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

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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

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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

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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

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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

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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 ◽

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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 ◽

Author(s):

Renbo Xu ◽

Ming Luo ◽

Rui Xia ◽

Xiaoqing Meng ◽

Xiaoyong Xu ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Docking Studies ◽

Molecular Docking Studies

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[Cu(dipicolinoylamide)(NO3)(H2O)] as anti-COVID-19 and antibacterial drug candidate: Design, Synthesis, Crystal Structure, DFT and Molecular Docking

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131348 ◽

2021 ◽

pp. 131348

Author(s):

Laila H. Abdel-Rahman ◽

Maram T. Basha ◽

Badriah Saad Al-Farhan ◽

Mohamed R. Shehata ◽

Shaaban K. Mohamed ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Drug Candidate ◽

Antibacterial Drug ◽

Design Synthesis

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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 ◽

Molecular Docking Studies

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Mixed-ligand copper(ii)-phenolate complexes: structure and studies on DNA/protein binding profiles, DNA cleavage, molecular docking and cytotoxicity

RSC Advances ◽

10.1039/c5ra20607c ◽

2016 ◽

Vol 6 (3) ◽

pp. 1810-1825 ◽

Author(s):

Sellamuthu Kathiresan ◽

Subramanian Mugesh ◽

Maruthamuthu Murugan ◽

Feroze Ahamed ◽

Jamespandi Annaraj

Keyword(s):

Mass Spectrometry ◽

Molecular Docking ◽

Electrospray Ionization ◽

Elemental Analysis ◽

Dna Cleavage ◽

Mixed Ligand ◽

Ionization Mass ◽

Electrochemical Studies ◽

Mixed Ligands ◽

Copper(ii) complexes with simple and mixed ligands, [Cu(L)(ClO4)] and [Cu(L)(diimine)]ClO4 were synthesized and characterized by elemental analysis, UV-vis, FT-IR, electrospray ionization-mass spectrometry (ESI-MS) and electrochemical studies.

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