Articles with "characterization silico" as a keyword



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Synthesis, characterization, in silico, and in vitro biological screening of coordination compounds with 1,2,4-triazine based biocompatible ligands and selected 3d-metal ions

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Published in 2020 at "Heliyon"

DOI: 10.1016/j.heliyon.2020.e05144

Abstract: A bidentate Schiff base ligand, MHMMT, obtained from 1,2,4-triazine derivative and 4-hydroxy-3-methoxy benzaldehyde and its Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) complexes were synthesised in ethanolic media and characterized by various analytical techniques like elemental… read more here.

Keywords: biological screening; silico vitro; vitro biological; characterization silico ... See more keywords
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Synthesis, characterization and in-silico assessment of novel thiazolidinone derivatives for cyclin-dependent kinases-2 inhibitors

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Published in 2021 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2020.129311

Abstract: Abstract This work aims to synthesize thiazolidinone derivatives using a rapid, safe and solvent-free grinding assisted approach. The newly synthesized compounds have been targeted due to their bioactivity in wide pharmaceutical uses, especially, as anti-proliferative… read more here.

Keywords: cyclin dependent; synthesis characterization; thiazolidinone derivatives; characterization silico ... See more keywords
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Spectroscopic characterization and in silico modelling of polyvinylpyrrolidone as an anion-responsive fluorescent polymer in aqueous media

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Published in 2019 at "Supramolecular Chemistry"

DOI: 10.1080/10610278.2019.1630740

Abstract: ABSTRACT Aqueous anion recognition has been a long-standing challenge in molecular recognition. The use of synthetic polymers is an emerging area of interest due to their conformational flexibility, creating microdomains that favor the desolvation and… read more here.

Keywords: spectroscopic characterization; anion; aqueous media; characterization silico ... See more keywords
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Isolation, Characterization and In Silico Studies of Secondary Metabolites from the Whole Plant of Polygala inexpectata Peşmen & Erik

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27030684

Abstract: Polygala species are frequently used worldwide in the treatment of various diseases, such as inflammatory and autoimmune disorders as well as metabolic and neurodegenerative diseases, due to the large number of secondary metabolites they contain.… read more here.

Keywords: polygala inexpectata; isolation characterization; silico studies; secondary metabolites ... See more keywords