Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and molecular docking approach
暂无分享,去创建一个
Eida S. Al-Farraj | A. Abu‐Dief | R. El-Khatib | Faizah S. Aljohani | Tarek El‐Dabea | I. Barnawi | A. Abdou | Mahmoud Abd El Aleem Ali Ali El‐Remaily | R. El‐Khatib | M. A. E. A. A. El‐Remaily
[1] Svilen P. Simeonov,et al. A Review on the Green Synthesis of Benzimidazole Derivatives and Their Pharmacological Activities , 2023, Catalysts.
[2] M. M. Khalaf,et al. Recent Overview of Potent Antioxidant Activity of Coordination Compounds , 2023, Antioxidants.
[3] M. M. Khalaf,et al. Design, Synthesis, Spectroscopic Inspection, DFT and Molecular Docking Study of Metal Chelates Incorporating Azo Dye Ligand for Biological Evaluation , 2023, Materials.
[4] A. A. Abdelhamid,et al. Synthesis, structural, DFT, antibacterial, antifungal, anti-inflammatory, and molecular docking analysis of new VO(II), Fe(III), Mn(II), Zn(II), and Ag(I) complexes based on 4-((2-hydroxy-1-naphthyl)azo) benzenesulfonamide , 2023, Journal of Molecular Liquids.
[5] E. Shokr,et al. Thieno[2,3-b]thiophene Derivatives as Potential EGFRWT and EGFRT790M Inhibitors with Antioxidant Activities: Microwave-Assisted Synthesis and Quantitative In Vitro and In Silico Studies , 2022, ACS omega.
[6] Eida S. Al-Farraj,et al. Design, structural inspection of new bis(1H-benzo[d]imidazol-2-yl)methanone complexes: biomedical applications and theoretical implementations via DFT and docking approaches , 2022, Inorganic Chemistry Communications.
[7] B. Gawdzik,et al. A Series of Green Oxovanadium(IV) Precatalysts with O, N and S Donor Ligands in a Sustainable Olefins Oligomerization Process , 2022, Molecules.
[8] H. Hrichi,et al. Synthesis, structural, biological, molecular docking and DFT investigation of Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of the 4-[(5-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate Schiff-base ligand , 2022, Polyhedron.
[9] E. Shokr,et al. Synthesis, characterization, and DFT study of linear and non-linear optical properties of some novel thieno[2,3-b]thiophene azo dye derivatives , 2022, Materials Chemistry and Physics.
[10] Aly Abdou,et al. Fabrication, Structural elucidation, DFT calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications , 2022, Journal of Molecular Liquids.
[11] M. M. Khalaf,et al. Development of Metal Complexes for Treatment of Coronaviruses , 2022, International journal of molecular sciences.
[12] A. Abu‐Dief,et al. Targeted synthesis of two iron (III) tetradentate dibasic chelating Schiff base complexes towards inhibition of acidic induced steel corrosion: Empirical and DFT insights , 2022, Applied Organometallic Chemistry.
[13] Eida S. Al-Farraj,et al. Tailoring of some novel bis-hydrazone metal chelates, spectral based characterization and DFT calculations for pharmaceutical applications and in-silico treatments for verification , 2022, Journal of Molecular Structure.
[14] M. M. Khalaf,et al. Fabrication, DFT Calculation, and Molecular Docking of Two Fe(III) Imine Chelates as Anti-COVID-19 and Pharmaceutical Drug Candidate , 2022, International journal of molecular sciences.
[15] Y. El‐Sayed,et al. Characterization, theoretical computation, DNA‐binding, molecular docking, antibacterial and antioxidant activities of new metal complexes of (E)‐1‐((1H‐1,2,4‐triazol‐3‐yl)diazenyl)naphthalen‐2‐ol. , 2022, Applied Organometallic Chemistry.
[16] A. Abu‐Dief,et al. Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates , 2022, Comput. Biol. Chem..
[17] N. El‐Metwaly,et al. Structural inspection for novel Pd(II), VO(II), Zn(II) and Cr(III)- azomethine metal chelates: DNA interaction, biological screening and theoretical treatments , 2021 .
[18] A. Abu‐Dief,et al. Tailoring, structural elucidation, DFT calculation, DNA interaction and pharmaceutical applications of some aryl hydrazone Mn(II), Cu(II) and Fe(III) complexes , 2021 .
[19] E. Gao,et al. Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies , 2021, Journal of Solid State Chemistry.
[20] K. Gholivand,et al. Evaluating anti-coronavirus activity of some phosphoramides and their influencing inhibitory factors using molecular docking, DFT, QSAR, and NCI-RDG studies , 2021, Journal of Molecular Structure.
[21] Alia Abdulaziz Alfi,et al. Development of New Thiazole Complexes as Powerful Catalysts for Synthesis of Pyrazole-4-Carbonitrile Derivatives under Ultrasonic Irradiation Condition Supported by DFT Studies , 2021, ACS omega.
[22] Tahani M. Bawazeer,et al. Efficient and recoverable novel pyranothiazol Pd (II), Cu (II) and Fe(III) catalysts in simple synthesis of polyfunctionalized pyrroles: Under mild conditions using ultrasonic irradiation , 2021, Applied Organometallic Chemistry.
[23] Amerah Alsoliemy,et al. Rapidly, highly yielded and green synthesis of dihydrotetrazolo[1,5‐ a ]pyrimidine derivatives in aqueous media using recoverable Pd (II) thiazole catalyst accelerated by ultrasonic: Computational studies , 2021, Applied Organometallic Chemistry.
[24] N. El‐Metwaly,et al. Optimization for synthesized quinoline-based Cr3+, VO2+, Zn2+ and Pd2+complexes: DNA interaction, biological assay and in-silico treatments for verification , 2021 .
[25] N. El‐Metwaly,et al. Synthesis and intensive characterization for novel Zn(II), Pd(II), Cr(III) and VO(II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies , 2021 .
[26] H. Hamad,et al. Boosting the catalytic performance of manganese (III)‐porphyrin complex MnTSPP for facile one‐pot green synthesis of 1,4‐dihydropyridine derivatives under mild conditions , 2021 .
[27] N. El‐Metwaly,et al. Synthesis and characterization of Fe(III), Pd(II) and Cu(II)-thiazole complexes; DFT, pharmacophore modeling, in-vitro assay and DNA binding studies , 2021, Journal of Molecular Liquids.
[28] N. El‐Metwaly,et al. Structural, conformational and therapeutic studies on new thiazole complexes: drug-likeness and MOE-simulation assessments , 2021, Research on Chemical Intermediates.
[29] A. Shiroudi,et al. Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects , 2021 .
[30] A. Nafady,et al. Non-Linear Optical Property and Biological Assays of Therapeutic Potentials Under In Vitro Conditions of Pd(II), Ag(I) and Cu(II) Complexes of 5-Diethyl amino-2-({2-[(2-hydroxy-Benzylidene)-amino]-phenylimino}-methyl)-phenol , 2020, Molecules.
[31] A. M. Khedr,et al. Synthesis and Elucidation for New Nanosized Cr(III)-Pyrazolin Complexes; Crystal Surface Properties, Antitumor Simulation Studies Beside Practical Apoptotic Path , 2020, Journal of Inorganic and Organometallic Polymers and Materials.
[32] A. Abu‐Dief,et al. A robust in vitro Anticancer, Antioxidant and Antimicrobial Agents Based on New Metal‐Azomethine Chelates Incorporating Ag(I), Pd (II) and VO (II) Cations: Probing the Aspects of DNA Interaction , 2020 .
[33] Mahmoud A. Noamaan,et al. Synthesis, DFT, computational exploration of chemical reactivity, molecular docking studies of novel formazan metal complexes and their biological applications , 2020 .
[34] A. Abu‐Dief,et al. Novel azomethine Pd (II)‐ and VO (II)‐based metallo‐pharmaceuticals as anticancer, antimicrobial, and antioxidant agents: Design, structural inspection, DFT investigation, and DNA interaction , 2019, Journal of Physical Organic Chemistry.
[35] M. A. El‐Remaily,et al. Iron (III)‐porphyrin Complex FeTSPP as an efficient catalyst for synthesis of tetrazole derivatives via [2 + 3]cycloaddition reaction in aqueous medium , 2019, Applied Organometallic Chemistry.
[36] A. Saeed,et al. Novel Guanidine Compound against Multidrug-Resistant Cystic Fibrosis-Associated Bacterial Species , 2018, Molecules.
[37] A. Adam,et al. Sonochemical synthesis, structural inspection and semiconductor behavior of three new nano sized Cu(II), Co(II) and Ni(II) chelates based on tri‐dentate NOO imine ligand as precursors for metal oxides , 2018 .
[38] A. D. Khalaji,et al. Six‐coordinated vanadium(IV) complexes with tridentate task‐specific ionic liquid Schiff base ligands: Synthesis, characterization and effect of ionic nature on catalytic activity , 2018 .
[39] A. Taherpour,et al. Synthesis, characterization and in vitro DNA binding studies of a new copper(II) complex containing antioxidant ferulic acid , 2017 .
[40] A. Abu‐Dief,et al. Design and nonlinear optical properties (NLO) using DFT approach of new Cr(III), VO(II), and Ni(II) chelates incorporating tri-dentate imine ligand for DNA interaction, antimicrobial, anticancer activities and molecular docking studies , 2017 .
[41] A. Abu‐Dief,et al. Development, structural investigation, DNA binding, antimicrobial screening and anticancer activities of two novel quari-dentate VO(II) and Mn (II) mononuclear complexes , 2017, Journal of King Saud University - Science.
[42] Y. Rahman,et al. Caffeic acid binds to the minor groove of calf thymus DNA: A multi-spectroscopic, thermodynamics and molecular modelling study. , 2017, International journal of biological macromolecules.
[43] A. Abu‐Dief,et al. Synthesis, characterization, and biological activity of new mixed ligand transition metal complexes of glutamine, glutaric, and glutamic acid with nitrogen based ligands , 2017 .
[44] Qiangqiang Fu,et al. Synthesis and Biological Evaluation of Two Oxidovanadium (IV) Complexes as DNA-binding and Apoptosis-Inducing Agents , 2016 .
[45] A. Abu‐Dief,et al. Sonochemical synthesis, DNA binding, antimicrobial evaluation and in vitro anticancer activity of three new nano-sized Cu(II), Co(II) and Ni(II) chelates based on tri-dentate NOO imine ligands as precursors for metal oxides. , 2016, Journal of photochemistry and photobiology. B, Biology.
[46] A. Abu‐Dief,et al. Some new nano-sized Cr(III), Fe(II), Co(II), and Ni(II) complexes incorporating 2-((E)-(pyridine-2-ylimino)methyl)napthalen-1-ol ligand: Structural characterization, electrochemical, antioxidant, antimicrobial, antiviral assessment and DNA interaction. , 2016, Journal of photochemistry and photobiology. B, Biology.
[47] A. Abu‐Dief,et al. Synthesis, structure elucidation, biological screening, molecular modeling and DNA binding of some Cu(II) chelates incorporating imines derived from amino acids , 2016 .
[48] N. Aliaga-Alcalde,et al. Electrochemical and theoretical quantum approaches on the inhibition of C1018 carbon steel corrosion in acidic medium containing chloride using some newly synthesized phenolic Schiff bases compounds , 2015 .
[49] L. Açık,et al. DNA cleavage, antimicrobial studies and a DFT-based QSAR study of new antimony(III) complexes as glutathione reductase inhibitor. , 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[50] Naresh Kandakatla,et al. Ligand Based Pharmacophore Modeling and Virtual Screening Studies to Design Novel HDAC2 Inhibitors , 2014, Adv. Bioinformatics.
[51] D. Easwaramoorthy,et al. Synthesis, structural, spectral, electrochemical and catalytic properties of VO (IV) complexes containing N, O donors , 2014 .
[52] Sonja Herres-Pawlis,et al. Geometrical and optical benchmarking of copper guanidine–quinoline complexes: Insights from TD‐DFT and many‐body perturbation theory† , 2014, J. Comput. Chem..
[53] S. Chandra,et al. Mn(II) and Cu(II) complexes of a bidentate Schiff's base ligand: spectral, thermal, molecular modelling and mycological studies. , 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[54] A. Abu‐Dief,et al. Design, characterization, teratogenicity testing, antibacterial, antifungal and DNA interaction of few high spin Fe(II) Schiff base amino acid complexes. , 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[55] S. Chandra,et al. Synthesis, characterization and biocidal properties of platinum metal complexes derived from 2,6-diacetylpyridine (bis thiosemicarbazone) , 2012 .
[56] Alexander Hoffmann,et al. (Guanidine)copper complexes: structural variety and application in bioinorganic chemistry and catalysis , 2011 .
[57] Huining Xiao,et al. Synergistic effects of chitosan-guanidine complexes on enhancing antimicrobial activity and wet-strength of paper. , 2010, Bioresource technology.
[58] M. Refat. Synthesis, characterization, thermal and antimicrobial studies of diabetic drug models: Complexes of vanadyl(II) sulfate with ascorbic acid (vitamin C), riboflavin (vitamin B2) and nicotinamide (vitamin B3) , 2010 .
[59] T. Prangé,et al. Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism. , 2008, Biophysical journal.
[60] H. Sakurai,et al. Biospeciation of antidiabetic VO(IV) complexes , 2008 .
[61] B. Golinelli‐Pimpaneau,et al. Ordering of C-terminal loop and glutaminase domains of glucosamine-6-phosphate synthase promotes sugar ring opening and formation of the ammonia channel. , 2008, Journal of molecular biology.
[62] J. Berry,et al. Diamagnetic Corrections and Pascal's Constants , 2008 .
[63] W. Chui,et al. Synthesis and biological activity of 1,3,5-triazino[1,2-a]benzimidazol-2-amines , 2007, Pharmaceutical Chemistry Journal.
[64] D. Powell,et al. Structural variation in copper(I) complexes with pyridylmethylamide ligands: structural analysis with a new four-coordinate geometry index, tau4. , 2007, Dalton transactions.
[65] S. Tabassum,et al. New homodi-and heterotrinuclear metal complexes of Schiff base compartmental ligand: interaction studies of copper complexes with calf thymus DNA , 2006 .
[66] K. Fukui. Grenzorbitale – ihre Bedeutung bei chemischen Reaktionen (Nobel‐Vortrag) , 2006 .
[67] Yosadara Ruiz-Morales,et al. HOMO−LUMO Gap as an Index of Molecular Size and Structure for Polycyclic Aromatic Hydrocarbons (PAHs) and Asphaltenes: A Theoretical Study. I , 2002 .
[68] C. Vinodkumar,et al. Thermal Studies on Lanthanide Nitrate Complexes of 4-n-(2′-furfurylidene)aminoantipyrine , 2000 .
[69] J. Aihara,et al. Reduced HOMO−LUMO Gap as an Index of Kinetic Stability for Polycyclic Aromatic Hydrocarbons , 1999 .
[70] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[71] Ralph G. Pearson,et al. Absolute hardness: companion parameter to absolute electronegativity , 1983 .
[72] R. Parr,et al. Electronegativity: The density functional viewpoint , 1978 .
[73] R. Drago. Pearson's quantitative statement of HSAB [hard-soft acid-base] , 1973 .
[74] P. C. Hariharan,et al. The effect of d-functions on molecular orbital energies for hydrocarbons , 1972 .
[75] Kenichi Fukui,et al. Recognition of stereochemical paths by orbital interaction , 1971 .
[76] K. Fukui. Formulation of the reaction coordinate , 1970 .
[77] Joseph H. Flynn,et al. General Treatment of the Thermogravimetry of Polymers. , 1966, Journal of research of the National Bureau of Standards. Section A, Physics and chemistry.
[78] T. Ozawa. A New Method of Analyzing Thermogravimetric Data , 1965 .
[79] H. Horowitz,et al. A New Analysis of Thermogravimetric Traces. , 1963 .
[80] Eli S. Freeman,et al. The Application of Thermoanalytical Techniques to Reaction Kinetics: The Thermogravimetric Evaluation of the Kinetics of the Decomposition of Calcium Oxalate Monohydrate , 1958 .
[81] P. Kofstad. Oxidation of Metals: Determination of Activation Energies , 1957, Nature.
[82] A. Abu‐Dief,et al. Three novel Ni(II), VO(II) and Cr(III) mononuclear complexes encompassing potentially tridentate imine ligand: Synthesis, structural characterization, DNA interaction, antimicrobial evaluation and anticancer activity , 2017 .
[83] H. Abdel-ghany,et al. Synthesis and biological activity of dihydroimidazole and 3,4-dihydrobenzo[4,5]imidazo[1,2-a][1,3,5]triazins. , 2012, European journal of medicinal chemistry.
[84] K. Nakamoto. Infrared spectra of inorganic and coordination compounds , 1970 .
[85] A. W. Coats,et al. Kinetic Parameters from Thermogravimetric Data , 1964, Nature.