Hydrothermal reaction of N-methyl-iminobis(methylenephosphonic acid), CH3N(CH2PO3H2)2, (H4L) with... more Hydrothermal reaction of N-methyl-iminobis(methylenephosphonic acid), CH3N(CH2PO3H2)2, (H4L) with copper(II) acetate afforded a new layered Cu(II) amino diphosphonate, Cu3(H2O)2(HL)2 · 2H2O (1). Compound 1 was studied by IR spectroscopy, TGA/DTA data, and X-ray diffraction (XRD) techniques. The XRD patterns are the same for the hydrated and the dehydrated complexes. A single-crystal X-ray crystallographic determination reveals copper in two different coordination environments. Cu1 has
Two N,N-bis(diphenylphosphino)-amine ligands [amine = 4-aminomorpholine (L-1) or 1-amino-4-methyl... more Two N,N-bis(diphenylphosphino)-amine ligands [amine = 4-aminomorpholine (L-1) or 1-amino-4-methylpiperazine (L-2)] and their Pd(II) complexes were synthesised and characterised by IR and NMR spectroscopies. The structures of ligand L-1 and both complexes C-1 and C-2 were determined by X-ray crystallography. The catalytic activity of C-1 and C-2 in the Heck coupling reactions was assessed. The effect of parameters such as palladium source, solvent, base and reaction time on the conversion was investigated to obtain the optimum conditions for the reaction. (C) 2016 Elsevier B.V. All rights reserved.
In this study, four novel phosphoramide ligands (L1-L4) are synthesized and characterized by 31PN... more In this study, four novel phosphoramide ligands (L1-L4) are synthesized and characterized by 31PNMR, 1HNMR, MASS, and FT-IR spectroscopies. In vitro cell growth inhibition is studied by the MTT assay to evaluate the cytotoxicity of ligands against MCF-7 cell line; the result of the assay demonstrates that all ligands significantly suppress the proliferation of breast cancer cells in a concentration-dependent manner. The calculated IC50 values are in the range of 3.6-10.77 µg ml-1, of which the lowest value is attributed to L1. Then a facile approach was developed to functionalize graphene oxide (GO) surface by L1. The data which are obtained by XRD, FT-IR, and EDX analysis confirmed the deposition of phosphoramide on the surface of GO. The cell viability of GO-L1 compound at different concentrations is investigated in 24 h experiment. Excellent synergistic antitumor effects of GO and L1 lead to a decrease in IC50 value up to 2.13 μg ml-1. The Quantum calculations of compounds are used to study energies and HOMO and LUMO values, dipole moments (µ), global hardness (η), global softness (σ), and electrophilicity index (ω) using DMol3 module in Material studio2017. The docking calculations are performed to describe the mode of the binding to DNA and DNA polymerase IIα. Adsorption calculations of ligands (L1-L4) on GO sheet in the presence of water showed that L1 and L2 were located on GO via π electrons of anisole ring. While, L3 and L4 were located on GO by π - π interactions of aniline ring.
The recent prevalence of coronavirus disease in 2019 (COVID-19) has triggered widespread global h... more The recent prevalence of coronavirus disease in 2019 (COVID-19) has triggered widespread global health concerns.Antiviral drugs based on phosphoramides have significant inhibitory activity against the main protease (Mpro) of the virus and prevent transcription and viral replication. Hence, in order to design and introduce a group of inhibitors affecting the coronavirus, 35 phosphoramide compounds based on phospho-guanine and phospho-pyrazine derivatives were selected for molecular docking study. The results showed that most phosphoguanides containing the amino benzimidazole have a high interaction tendency with COVID-19. Among them, compound 19 was identified as the strongest inhibitor with the -9.570 kcal/mol binding energy whereas, the binding energy of Remdesivir is -6.75 kcal/mol. The quantitative structure-activity relationship (QSAR) results demonstrated that the number of aromatic rings, amide's nitrogens and their ability in π-staking, and hydrogen interactions with Mpro active sites are major factors contributing to the inhibitory activity of these compounds.Also, the NCI-RDG and DFT results were in good accordance with those of QSAR and molecular docking. The findings of this investigation can be underlying the synthesis of effective and efficient drugs against COVID-19.
Phosphorus Sulfur and Silicon and The Related Elements, Sep 1, 1996
The nature of instability of sulfur dichloride was examined in the gas phase. Purification of thi... more The nature of instability of sulfur dichloride was examined in the gas phase. Purification of this compound was performed by trap-to-trap condensation in the absence of light. In this condition, sulfur dichloride was quite stable for several days at room temperature and even up to 80°C in gas phase. The UV-Vis and IR spectra of the compound were reinvestigated. New
... b Faculty of Science, Department of Chemistry, University of Tarbiat Modares, Tehran, Iran. c... more ... b Faculty of Science, Department of Chemistry, University of Tarbiat Modares, Tehran, Iran. c Department of Applied Chemistry, Faculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran. Received 26 January 2006; accepted 18 February 2007. ...
Hydrothermal reaction of N-methyl-iminobis(methylenephosphonic acid), CH3N(CH2PO3H2)2, (H4L) with... more Hydrothermal reaction of N-methyl-iminobis(methylenephosphonic acid), CH3N(CH2PO3H2)2, (H4L) with copper(II) acetate afforded a new layered Cu(II) amino diphosphonate, Cu3(H2O)2(HL)2 · 2H2O (1). Compound 1 was studied by IR spectroscopy, TGA/DTA data, and X-ray diffraction (XRD) techniques. The XRD patterns are the same for the hydrated and the dehydrated complexes. A single-crystal X-ray crystallographic determination reveals copper in two different coordination environments. Cu1 has
Two N,N-bis(diphenylphosphino)-amine ligands [amine = 4-aminomorpholine (L-1) or 1-amino-4-methyl... more Two N,N-bis(diphenylphosphino)-amine ligands [amine = 4-aminomorpholine (L-1) or 1-amino-4-methylpiperazine (L-2)] and their Pd(II) complexes were synthesised and characterised by IR and NMR spectroscopies. The structures of ligand L-1 and both complexes C-1 and C-2 were determined by X-ray crystallography. The catalytic activity of C-1 and C-2 in the Heck coupling reactions was assessed. The effect of parameters such as palladium source, solvent, base and reaction time on the conversion was investigated to obtain the optimum conditions for the reaction. (C) 2016 Elsevier B.V. All rights reserved.
In this study, four novel phosphoramide ligands (L1-L4) are synthesized and characterized by 31PN... more In this study, four novel phosphoramide ligands (L1-L4) are synthesized and characterized by 31PNMR, 1HNMR, MASS, and FT-IR spectroscopies. In vitro cell growth inhibition is studied by the MTT assay to evaluate the cytotoxicity of ligands against MCF-7 cell line; the result of the assay demonstrates that all ligands significantly suppress the proliferation of breast cancer cells in a concentration-dependent manner. The calculated IC50 values are in the range of 3.6-10.77 µg ml-1, of which the lowest value is attributed to L1. Then a facile approach was developed to functionalize graphene oxide (GO) surface by L1. The data which are obtained by XRD, FT-IR, and EDX analysis confirmed the deposition of phosphoramide on the surface of GO. The cell viability of GO-L1 compound at different concentrations is investigated in 24 h experiment. Excellent synergistic antitumor effects of GO and L1 lead to a decrease in IC50 value up to 2.13 μg ml-1. The Quantum calculations of compounds are used to study energies and HOMO and LUMO values, dipole moments (µ), global hardness (η), global softness (σ), and electrophilicity index (ω) using DMol3 module in Material studio2017. The docking calculations are performed to describe the mode of the binding to DNA and DNA polymerase IIα. Adsorption calculations of ligands (L1-L4) on GO sheet in the presence of water showed that L1 and L2 were located on GO via π electrons of anisole ring. While, L3 and L4 were located on GO by π - π interactions of aniline ring.
The recent prevalence of coronavirus disease in 2019 (COVID-19) has triggered widespread global h... more The recent prevalence of coronavirus disease in 2019 (COVID-19) has triggered widespread global health concerns.Antiviral drugs based on phosphoramides have significant inhibitory activity against the main protease (Mpro) of the virus and prevent transcription and viral replication. Hence, in order to design and introduce a group of inhibitors affecting the coronavirus, 35 phosphoramide compounds based on phospho-guanine and phospho-pyrazine derivatives were selected for molecular docking study. The results showed that most phosphoguanides containing the amino benzimidazole have a high interaction tendency with COVID-19. Among them, compound 19 was identified as the strongest inhibitor with the -9.570 kcal/mol binding energy whereas, the binding energy of Remdesivir is -6.75 kcal/mol. The quantitative structure-activity relationship (QSAR) results demonstrated that the number of aromatic rings, amide's nitrogens and their ability in π-staking, and hydrogen interactions with Mpro active sites are major factors contributing to the inhibitory activity of these compounds.Also, the NCI-RDG and DFT results were in good accordance with those of QSAR and molecular docking. The findings of this investigation can be underlying the synthesis of effective and efficient drugs against COVID-19.
Phosphorus Sulfur and Silicon and The Related Elements, Sep 1, 1996
The nature of instability of sulfur dichloride was examined in the gas phase. Purification of thi... more The nature of instability of sulfur dichloride was examined in the gas phase. Purification of this compound was performed by trap-to-trap condensation in the absence of light. In this condition, sulfur dichloride was quite stable for several days at room temperature and even up to 80°C in gas phase. The UV-Vis and IR spectra of the compound were reinvestigated. New
... b Faculty of Science, Department of Chemistry, University of Tarbiat Modares, Tehran, Iran. c... more ... b Faculty of Science, Department of Chemistry, University of Tarbiat Modares, Tehran, Iran. c Department of Applied Chemistry, Faculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran. Received 26 January 2006; accepted 18 February 2007. ...
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