Synthesis, X-ray crystal structure, IR and Raman spectroscopic analysis, quantum chemical computational and molecular docking studies on hydrazone-pyridine compound: as an insight into the inhibitor capacity of Main Protease of SARS-CoV2.
TLDR
The characterization and synthesis of 3-chloro-2-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}pyridine (CCPEHP) was investigated in this paper.About:
This article is published in Journal of Molecular Structure.The article was published on 2021-04-21 and is currently open access. It has received 14 citations till now. The article focuses on the topics: Pyridine & Molecule.read more
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Synthesis, characterization, DFT, antioxidant, antibacterial, pharmacokinetics and inhibition of SARS-CoV-2 main protease of some heterocyclic hydrazones
Lilia Adjissi,Nadjib Chafai,Khalissa Benbouguerra,Imene Kirouani,Abdelkader Hellal,Houdheifa Layaida,Meriem Elkolli,Chawki Bensouici,Salah Chafaa +8 more
TL;DR: In this paper , three hydrazone derivatives have been synthesized using condensation reaction of 4-hydrazinylbenzoic acid with three aromatic aldehydes in ethanol at 78 °C reflux.
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Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR
Ededet A. Eno,Hitler Louis,Tomsmith O. Unimuke,T. Gber,Josephat A. Akpanke,Ismail O. Amodu,Amanda-Lee Manicum,Offiong E. Offiong +7 more
TL;DR: In this article , the authors presented detailed DFT studies, in silico molecular docking, and multilinear regression analysis (MLRA) investigations of eight biologically active Rhenium tricarbonyl complexes designed and modeled based on the results of Karges and co-workers.
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New bis hydrazone: Synthesis, X-ray crystal structure, DFT computations, conformational study and in silico study of the inhibition activity of SARS-CoV-2
Abdelkader Tabbiche,Abdelaziz Bouchama,Nadjib Chafai,Farouk Zaidi,Chaabane Chiter,Messaoud Yahiaoui,Abdellah Abiza +6 more
TL;DR: In this article , a bis hydrazone derived from benzil was synthesized in good yield, namely: (1Z,2Z)-1,2-bis (3-Chlorophenyl Hydrazino) benzil, encoded by 3-Cl BHB.
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Benzothiazolopyridine compounds: Facial synthesis, characterization, and molecular docking study on estrogen and progesterone receptors
TL;DR: In this article, a convenient and efficient procedure for the synthesis of 1-amino-2- (benzo [d] thiazol-2yl)-3-aryl-3-hydro-benzo derivatives (6a-f) was studied.
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Synthesis, X-ray, characterization and HSA and energy framework analysis of novel pyridine-hydrazone based ligand and its Co(II) complex biological activity prediction and experimental antibacterial properties
TL;DR: In this article, the ligand and its complex [Co(HL)Cl2(H2O)] were synthesized and elucidated using structural and spectroscopic techniques.
References
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