سنتز، شناسایی، محاسبات ab initio، فعالیت ضد سرطانی و مطالعالعات ترمودینامیکی بین تعدادی از کمپلکس های باز شیف محلول در آب با آلومین سرم انسانی و گاوی

some new water-soluble schiff base complexes of na2[m(5-so3-1,2-salophen)].nh2o; (5-so3-1,2-salophen = n,n’-bis(5-sulphosalicyliden)-1,2-phenylendiamine); na2[m(5-so3-2,3-salpyr)(h2o)n].2h2o; (5-so3-2,3-salpyr = n,n’-bis(5-sulphosalicyliden)-2,3-diaminopyridine); and na2[m(5-so3-3,4-salbenz)(h2o)n].nh2o; (5-so3-3,4-salbenz = n,n’-bis(5-sulphosalicyliden)-3,4-diaminobenzophenon); where m = cu, ni, zn and mn were synthesized and characterized by elemental analysis, ir, 1h nmr, magnetic susceptibility measurement, thermal analysis and uv–vis. spectroscopy. also, formation constants of some of the complexes have been determined by uv- vis absoption spectroscopy through titration of the ligand with the metal ions at constant ionic strength and at 25?c by using ketelaar equation. the theoretical molecular structure for some of the complexes was computed by using the hf method and the 6-311g basis set. the mechanism of complex binding with bovine serum albumin (bsa) and human serum albumin (hsa) was investigated by fluorescence spectroscopic technique. the values of stern-volmer constants, quenching rate constants, binding constants, binding sites and average aggregation number of bsa and hsa have been determined by this method. the thermodynamic parameters were calculated by van’t hoff equation. comparison of thermodynamic data leads us to understand the binding mechanism including hydrophobic interaction. the data clearly indicate that the binding is entropy driven and enthalpically disfavored. based on the f?rster theory of non-radiation energy transfer, the efficiency of energy transfer and the distance between the donor (trp residues) and the acceptor (complex) were evaluated. also the synchronous fluorescence spectra show that the microenvironment of the tryptophan residues was not apparently changed. our results explained that mentioned complexes could bind to transport proteins and be efficiently transported in body, which could be a helpful guideline for further drug design. finally, the mentioned complexes were also screened for their anticancer activities as k562 leukemia cell line was the target. these results indicate that these complexes can be potential anticancer agent