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Synthesis, molecular modeling, TD‐DFT, antimicrobial, and in vitro therapeutic activity of new spherical nano‐sized sulfonamide imine ligands and their zinc (II) and copper (II) complexes
Author(s) -
ElDissouky Ali,
AbuElsoud Eslam S.,
Abdel Razik Afaf,
Awad Mohamed K.,
Hassan Hammed H.A.M.,
Elhusseiny Amel F.
Publication year - 2020
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.5953
Subject(s) - chemistry , zinc , antibacterial activity , copper , imine , nuclear chemistry , homo/lumo , stereochemistry , medicinal chemistry , bacteria , organic chemistry , molecule , genetics , biology , catalysis
A series of nanometer‐sized spherical sulfonamide imine ligands HL 1 ‐HL 5 and their copper and zinc complexes were synthesized and fully characterized based on elemental analyses, spectroscopic (U V / v is, FT‐IR, NMR, EPR, SEM) studies, molar conductance and thermal analyses. Furthermore, computational studies of HL 1 ‐HL 5 were carried out by the DFT/B3LYP method. TD‐DFT, HOMO and LUMO energy values, chemical hardness, electronegativity, electrophilic index, softness, and other parameters were calculated. Screening against several pathogenic microorganisms indicated that HL 1 exhibited high activity against the tested Gram‐negative bacteria relative to other analogues and the inhibition activity is greater than the standard Gentamicin. Analogously, HL 2 exhibited high potent activity against the tested Gram‐positive bacteria. Copper complexes exhibited a higher potent activity than zinc analogues. Noteworthy, inhibition activity of [Cu ( L 3 )(OAc)] complex is higher than that of the standard Ampicillin. [Cu ( L 2 )(OAc)] complex displayed a similar activity of the standard bactericides and fungicides in use. The complexes showed appreciated values of MIC against bacterial strains: B. subtilis (MIC = 0.4 μg / mL), E. coli and S. pneumonia (MIC = 1.95 μg / mL) and P. aeruginosa (MIC = 7.81 μg / mL). in vitro cytotoxic activities study proved that [Cu ( L 3 )(OAc)] complex exhibited appreciable activity versus (HEPG‐2); IC 50 = 4.8 μg/ml, while [Cu( L 2 )(OAc)] complex showed a high activity against (MCF‐7); IC 50 = 6.2 μg/ml. These results could be considered as new findings of promising antitumor candidates for experimental chemotherapy.