Cargando…

Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)

Macrocyclic ligands (MacL(1)-MacL(3)) and Co(II) complexes were synthesized via template condensation of o-phenylenediamine with various aromatic dicarboxylic acids. The elemental analysis, FT-IR, mass spectrometry, (1)H NMR, (13)C NMR, UV-vis, SEM analysis, powder X-ray diffraction, thermogravimetr...

Descripción completa

Detalles Bibliográficos
Autores principales:	Subhash, Chaudhary, Ashu, Jyoti, Kumar, Manish, Kumar, Naveen, Agarwal, Neeraj K
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer India 2022
Materias:	Regular Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9713749/ https://www.ncbi.nlm.nih.gov/pubmed/36471761 http://dx.doi.org/10.1007/s12039-022-02109-2

Ejemplares similares

Synthesis, structural characterization, thermal analysis, DFT, biocidal evaluation and molecular docking studies of amide-based Co(II) complexes
por: Subhash, et al.
Publicado: (2023)

Fertility Inhibitors Macrocyclic Complexes of Bivalent Manganese: Synthetic, Spectroscopic and Medicinal Approach
por: Singh, R. V., et al.
Publicado: (2003)

DFT (density functional theory) studies on cycloisomerization of 15–membered triazatriacetylenic macrocycle
por: MOVAHEDI, Mansooreh, et al.
Publicado: (2021)

Synthesis, spectral analysis, molecular docking and DFT studies of 3-(2, 6-dichlorophenyl)-acrylamide and its dimer through QTAIM approach
por: Shukla, Akhilesh Kumar, et al.
Publicado: (2020)

Txicological Aspects of Newly Designed Macrocyclic Complexes of Iron(II)
por: Chaudhary, Ashu, et al.
Publicado: (2002)

Synthesis and Spectroscopic Characterization of Some New Axially Ligated Indium(III) Macrocyclic Complexes and Their Biological Activities
por: Bajju, Gauri D., et al.
Publicado: (2014)

Performance evaluation of flexible macrocycle docking in AutoDock
por: Holcomb, Matthew, et al.
Publicado: (2022)

DFT Quantum-Chemical Modeling Molecular Structures of Cobalt Macrocyclic Complexes with Porphyrazine or Its Benzo-Derivatives and Two Oxygen Acido Ligands
por: Mikhailov, Oleg V., et al.
Publicado: (2020)

Potentially Biodynamic Tetraaza Macrocycles and their Manganese Complexes: Antiandrogen, Antimicrobial and PDI Studies
por: Chaudhary, Ashu, et al.
Publicado: (2005)

Synthesis, spectroscopic, DFT calculations, biological activity, SAR, and molecular docking studies of novel bioactive pyridine derivatives
por: Anwer, Kurls E., et al.
Publicado: (2023)

Antimicrobial, Antifertility and Antiinflammatory Approach to Tetradentate Macrocyclic Complexes of Iron(II) and Manganese(II)
por: Chaudhary, Ashu, et al.
Publicado: (2002)

Structural and Spectroscopic Properties of Assemblies of Self-Replicating Peptide Macrocycles
por: Frederix, Pim W. J. M., et al.
Publicado: (2017)

Design, Synthesis, Spectroscopic Inspection, DFT and Molecular Docking Study of Metal Chelates Incorporating Azo Dye Ligand for Biological Evaluation
por: Al-Gaber, Mohamed Ali Ibrahim, et al.
Publicado: (2023)

Synthesis, spectroscopic investigation, molecular docking, ADME/T toxicity predictions, and DFT study of two trendy ortho vanillin-based scaffolds
por: Majumdar, Dhrubajyoti, et al.
Publicado: (2023)

Fertility Regulation in Male Rats by Implemented Tetraazamacrocyclic Compounds of Iron(II): Synthetic, Spectroscopic, and Applied Aspects With Toxicological Screening
por: Chaudhary, Ashu, et al.
Publicado: (2006)

Design, synthesis, molecular docking and DFT studies on novel melatonin and isatin based azole derivatives
por: Saini, Keshav Kumar, et al.
Publicado: (2023)

DFT and molecular docking investigations of oxicam derivatives
por: Mary, Y.Shyma, et al.
Publicado: (2019)

Spectroscopic Evidence for a Cobalt-Bound Peroxyhemiacetal Intermediate
por: Son, Yeongjin, et al.
Publicado: (2021)

Synthetic, Spectroscopic and Biocidal Aspects of Heterobimetallic Complexes Comprising Platinum(II) and a Group Four or Fourteen Element
por: Sharma, Kripa, et al.
Publicado: (2000)

Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
por: Barakat, Assem, et al.
Publicado: (2015)

Synthesis, spectroscopic investigation, molecular docking and DFT studies of novel (2Z,4Z)-2,4-bis(4-chlorobenzylidene)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (BCOPCA)
por: Devi, Poornima, et al.
Publicado: (2018)

Synthesis, Spectroscopic, X-ray Diffraction and DFT Studies of Novel Benzimidazole Fused-1,4-Oxazepines
por: Almansour, Abdulrahman I., et al.
Publicado: (2016)

Design and synthesis of Co(II)HMTAA-14/16 macrocycles and their nano-composites for oxygen reduction electrocatalysis
por: Kumar, Anuj, et al.
Publicado: (2019)

Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine
por: Świderski, Grzegorz, et al.
Publicado: (2021)

Molecular Design, Spectroscopic, DFT, Pharmacological, and Molecular Docking Studies of Novel Ruthenium(III)–Schiff Base Complex: An Inhibitor of Progression in HepG2 Cells
por: Noureldeen, Amani F. H., et al.
Publicado: (2022)

Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2
por: Yadav, Rohitash, et al.
Publicado: (2021)

Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides
por: Mphahlele, Malose Jack, et al.
Publicado: (2017)

Association of aescin with β- and γ-cyclodextrins studied by DFT calculations and spectroscopic methods
por: Ramos, Ana I, et al.
Publicado: (2017)

Solvation effect and binding of rhaponticin with iron: a spectroscopic and DFT/TDDFT study
por: Liu, Zhen, et al.
Publicado: (2019)

Comprehensive study on the degradation of ochratoxin A in water by spectroscopic techniques and DFT calculations
por: Cagnasso, Iris, et al.
Publicado: (2019)

Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
por: Swoboda, Daniel, et al.
Publicado: (2022)

In silico study of remdesivir with and without ionic liquids having different cations using DFT calculations and molecular docking
por: Kumari, Kamlesh, et al.
Publicado: (2022)

Design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein from Staphylococcus aureus
por: Ranganatha, V Lakshmi, et al.
Publicado: (2021)

Reactive Cobalt–Oxo Complexes of Tetrapyrrolic Macrocycles and N-based Ligand in Oxidative Transformation Reactions
por: Ali, Atif, et al.
Publicado: (2018)

Inhibition of Tyrosinase by Mercury Chloride: Spectroscopic and Docking Studies
por: Chen, Jianmin, et al.
Publicado: (2020)

Spectroscopic and Structural Study of Some Oligosilanylalkyne Complexes of Cobalt, Molybdenum and Nickel
por: Zirngast, Michaela, et al.
Publicado: (2019)

Biocides and Novel Antimicrobial Agents for the Mitigation of Coronaviruses
por: Dev Kumar, Govindaraj, et al.
Publicado: (2020)

Tsuji–Trost Cyclization of Disulfonamides: Synthesis of 12-Membered, 11-Membered, and Pyridine-Fused Macrocyclic Triamines
por: Ali, Rameez, et al.
Publicado: (2019)

L-amino-acids as immunity booster against COVID-19: DFT, molecular docking and MD simulations
por: Singh, Prashant, et al.
Publicado: (2022)

A DFT Study of the Geometrical, Spectroscopical and Reactivity Properties of Diindolylmethane-Phenylboronic Acid Hybrids
por: Fragoso-Medina, Amira Jalil, et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_jejoudfnq1q6ds5b5e80d63bup