Cargando…

Synthesis, characterization, DFT, antioxidant, antibacterial, pharmacokinetics and inhibition of SARS-CoV-2 main protease of some heterocyclic hydrazones

Three hydrazone derivatives have been synthesized using condensation reaction of 4-hydrazinylbenzoic acid with three aromatic aldehydes namely: thiophene-2-carbaldehyde, thiophene-3-carbaldehyde and 2-furaldehyde in ethanol at 78 °C reflux. The synthesized molecules have been characterized using spe...

Descripción completa

Detalles Bibliográficos
Autores principales:	Adjissi, Lilia, Chafai, Nadjib, Benbouguerra, Khalissa, Kirouani, Imene, Hellal, Abdelkader, Layaida, Houdheifa, Elkolli, Meriem, Bensouici, Chawki, Chafaa, Salah
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9395430/ https://www.ncbi.nlm.nih.gov/pubmed/36033106 http://dx.doi.org/10.1016/j.molstruc.2022.134005

Ejemplares similares

New thiophene-derived α-aminophosphonic acids: Synthesis under microwave irradiations, antioxidant and antifungal activities, DFT investigations and SARS-CoV-2 main protease inhibition
por: Tlidjane, Hamida, et al.
Publicado: (2022)

New α-Hydrazinophosphonic acid: Synthesis, characterization, DFT study and in silico prediction of its potential inhibition of SARS-CoV-2 main protease
por: Benbouguerra, Khalissa, et al.
Publicado: (2021)

New bis hydrazone: Synthesis, X-ray crystal structure, DFT computations, conformational study and in silico study of the inhibition activity of SARS-CoV-2
por: Tabbiche, Abdelkader, et al.
Publicado: (2022)

Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2
por: kerkour, Rachida, et al.
Publicado: (2023)

New bi-phosphonate derivative: Synthesis, characterization, antioxidant activity in vitro and via cyclic voltammetry mode and evaluation of its inhibition of SARS-CoV-2 main protease
por: Houas, Noudjoud, et al.
Publicado: (2023)

Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes
por: Adejumo, Temiloluwa T., et al.
Publicado: (2020)

Exploration of Molecular Structure, DFT Calculations, and Antioxidant Activity of a Hydrazone Derivative
por: Tayade, Kundan, et al.
Publicado: (2022)

Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications
por: Sakr, Mahmoud A. S., et al.
Publicado: (2022)

Facile Synthesis and DFT Analysis of Novel Thiazole-Based Hydrazones: An Experimental and Theoretical Perspective
por: Haroon, Muhammad, et al.
Publicado: (2023)

Synthesis of Novel Tritopic Hydrazone Ligands: Spectroscopy, Biological Activity, DFT, and Molecular Docking Studies
por: Rupa, Sharmin Akther, et al.
Publicado: (2022)

Antioxidant properties of butylated phenol with oxadiazole and hydrazone moiety at ortho position supported by DFT study
por: Shakira, Raied M., et al.
Publicado: (2022)

DFT-based reactivity and combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors of Pim-1 kinase
por: Hazhazi, Halima, et al.
Publicado: (2019)

Regio- and enantioselective umpolung gem-difluoroallylation of hydrazones via palladium catalysis enabled by N-heterocyclic carbene ligand
por: Huang, Shuai, et al.
Publicado: (2021)

TD-DFT calculations, dipole moments, and solvatochromic properties of 2-aminochromone-3-carboxaldehyde and its hydrazone derivatives
por: Adly, Omima M. I., et al.
Publicado: (2023)

Crystal structures and antioxidant capacity of (E)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (E)-5-benzyloxy-2-({[2-(1H-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
por: Ghichi, Nadir, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and antioxidant capacity of 2,2′-{(1E,1′E)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol
por: Ghichi, Nadir, et al.
Publicado: (2018)

(E)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (Z)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one
por: Ghichi, Nadir, et al.
Publicado: (2018)

Phytochemical analysis, biological activities of methanolic extracts and an isolated flavonoid from Tunisian Limoniastrum monopetalum (L.) Boiss: an in vitro and in silico investigations
por: Bouzidi, Amel, et al.
Publicado: (2023)

Dicationic Bis-Pyridinium Hydrazone-Based Amphiphiles Encompassing Fluorinated Counteranions: Synthesis, Characterization, TGA-DSC, and DFT Investigations
por: Aljuhani, Ateyatallah, et al.
Publicado: (2022)

Synthesis, X-ray Structure, Hirshfeld, DFT Conformational, Cytotoxic, and Anti-Toxoplasma Studies of New Indole-Hydrazone Derivatives
por: Hassan, Eman M., et al.
Publicado: (2023)

In Vitro and In Silico Activities of E. radiata and E. cinerea as an Enhancer of Antibacterial, Antioxidant, and Anti-Inflammatory Agents
por: Elkolli, Hayet, et al.
Publicado: (2023)

A selective detection approach for copper(ii) ions using a hydrazone-based colorimetric sensor: spectroscopic and DFT study
por: Abdulazeez, Ismail, et al.
Publicado: (2018)

Geometry and UV-Vis Spectra of Au(3+) Complexes with Hydrazones Derived from Pyridoxal 5′-Phosphate: A DFT Study
por: Pimenov, Oleg A., et al.
Publicado: (2023)

Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
por: Hagar, Mohamed, et al.
Publicado: (2020)

Microwave-assisted synthesis, antioxidant activity, docking simulation, and DFT analysis of different heterocyclic compounds
por: Shalaby, Mona A., et al.
Publicado: (2023)

New Pyrazole-Hydrazone Derivatives: X-ray Analysis, Molecular Structure Investigation via Density Functional Theory (DFT) and Their High In-Situ Catecholase Activity
por: Karrouchi, Khalid, et al.
Publicado: (2017)

Synthesis, DFT Study, and In Vitro Evaluation of Antioxidant Properties and Cytotoxic and Cytoprotective Effects of New Hydrazones on SH-SY5Y Neuroblastoma Cell Lines
por: Tzankova, Diana, et al.
Publicado: (2023)

Investigation of Photoprotective, Anti-Inflammatory, Antioxidant Capacities and LC–ESI–MS Phenolic Profile of Astragalus gombiformis Pomel
por: Lekmine, Sabrina, et al.
Publicado: (2021)

Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations
por: Wong, Bryan M., et al.
Publicado: (2011)

Microwave assisted synthesis, antifungal activity, DFT and SAR study of 1,2,4-triazolo[4,3-a]pyridine derivatives containing hydrazone moieties
por: Mu, Jin-Xia, et al.
Publicado: (2016)

2,4-Dinitrobenzaldehyde hydrazone
por: Zhang, Nan, et al.
Publicado: (2008)

Recent advances in the synthesis of fluorinated hydrazones
por: Guo, Rui, et al.
Publicado: (2018)

Antimicrobial Activity of Some Steroidal Hydrazones
por: Merlani, Maia, et al.
Publicado: (2023)

Development of New Antimycobacterial Sulfonyl Hydrazones and 4-Methyl-1,2,3-thiadiazole-Based Hydrazone Derivatives
por: Angelova, Violina T., et al.
Publicado: (2022)

Flavonoids, cytotoxic, antioxidant and antibacterial activities of Evax pygmaea
por: Khalfallah, Assia, et al.
Publicado: (2017)

4,4′-Methylenebis{N-[(E)-quinolin-2-ylmethylidene]aniline}
por: Djamel, Daoud, et al.
Publicado: (2011)

4,4′-Oxybis{N-[(E)-quinolin-2-ylmethylidene]aniline}
por: Djamel, Daoud, et al.
Publicado: (2011)

1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl}phenoxy)phenyl]iminiumylmethyl}naphthalen-2-olate
por: Haffar, Djahida, et al.
Publicado: (2013)

Transition metal complexes of an isatinic quinolyl hydrazone
por: Seleem, Hussein S
Publicado: (2011)

The importance of the rotor in hydrazone-based molecular switches
por: Su, Xin, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_qa2vbta8ui4o87p0tm525qt3tt