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Toplam kayıt 11, listelenen: 1-10
Heteroligand bivalent transition metal complexes with an azo-oxime ligand and 1,10-phenanthroline: Synthesis, spectroscopy, thermal analysis, DFT calculations and SOD-mimetic activities
(Elsevier B.V., 2021)
Novel mononuclear heteroligand transition metal complexes: [M(HL)(phen)2]ClO4, (M: Mn(II) for 1, Ni(II) for 2), [M(HL)(phen)(ClO4)], (Ni(II) for 3, Cu(II) for 4, Zn(II) for 5) with 2-[(E)-(hydroxyimino)methyl]-4-[(E)-phe ...
Synthesis and molecular docking studies of potent urease inhibitors based on benzoxazole scaffold
(Wiley-V C Verlag GMBH, 2021)
In this study, we report the synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzoxazole derivatives. The title compound in the series namely (2-(benzo[d]oxazol-2-ylthi ...
Developing a scaffold for urease inhibition based on benzothiazoles: Synthesis, docking analysis, and therapeutic potential
(Wiley-V C Verlag GMBH, 2021)
The synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzothiazole derivatives are reported. The title compounds in the two series, namely, 2-({5-[(benzothiazol-2-ylthio ...
Comparison of electrostatic potential obtained from different atomic point charges calculation methods for a large set of molecules
(World Stientific Publishing, 2021)
The Electrostatic Potential is of great importance in chemical reactivity since it is closely related to many of molecular properties. Despite the fact that there are significant improvements in the quantum mechanical ...
Synthesis and anticancer activities of some new coumarin derivatives including the triazole ring and their in silico molecular docking studies
(Wiley-V C H Verlag Gmbh, 2020)
The synthesis, docking study, and investigation of the anticancer activities of some coumarin derivatives containing the triazole ring are reported in this study. the newly synthesized compounds were screened for their in ...
Iron(III) complexes derived from azo-containing salicylaldoxime ligands: Synthesis, structures and biological evaluations
(TUBİTAK Scientific & Technical Research Council Turkey, 2021)
Two novel mononuclear Fe(III) complexes derived from azo-containing salicylaldoxime ligands were synthesized and characterized by elemental analyses, spectroscopic data i.e. IR, 1H NMR, UV-Vis, electrospray ionization mass ...
In silico inhibition potential of artemisinin derivatives against SARS-CoV-2 main protease
(TUBİTAK Scientific & Technical Research Council Turkey, 2021)
The outbreak of COVID-19 caused by the SARS-CoV-2 virus has recently affected millions worldwide. The natural compounds obtained from medicinal plants have been proven to be the source of many treatments throughout history. ...
Potential therapeutic effect of turmeric contents against SARS-CoV-2 compared with experimental COVID-19 therapies: in silico study
(Taylor & Francis Inc, 2020)
Inspired by the 'There is no scientific evidence that turmeric prevents COVID-19' statement made by WHO, the protective or therapeutic potential of the compounds in turmeric contents was investigated against COVID-19 with ...
Synthesis and molecular docking studies of novel triazole derivatives as antioxidant agents
(Bentham Science Publ Ltd, 2020)
A series of 1,2,4-triazole and 1,2,4- thiadiazole derivatives were prepared starting from ethyl 4-(3-methyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)benzoate. Firstly, both ethyl ester groups were simultaneously transformed ...
New 1,3,4-thiadiazol derivatives: Synthesis, computational study and X-Ray
(Elsevier, 2020)
In this study, 4-hydroxyphenyl-3H-1,2,4-triazol-3-one derivatives (la-d), cyanomethoxyphenyl-3-alkyl/aryl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-acetonitriles (2a-d) and bis amino-1,3,4-thiadiazol-5-alkyl/aryl-2,4-dihydro-3H ...