Abstract
1,3,4-Thiadiazole molecules (1–4) were synthesized by the reaction of phenylthiosemicarbazide and methoxy cinnamic acid molecules in the presence of phosphorus oxychloride, and characterized with UV, FT-IR,
13
C-NMR, and
1
H-NMR methods. DFT calculations (b3lyp/6-311++G(d,p)) were performed to investigate the structures' geometry and physiochemical properties. Their antibacterial activity was screened for various bacteria strains such as
Enterobacter aerogenes
,
Escherichia coli
ATCC 13048,
Salmonella kentucky
,
Pseudomonas aeruginosa
,
Klebsiella pneumoniae
,
Proteus
and Gram positive such as
Staphylococcus aureus
ATCC 25923,
Listeria monocytogenes
ATCC 7644,
Enterococcus faecium
,
Enterococcus durans
,
Staphylococcus aureus
ATCC,
Serratia marcescens
,
Staphylococcus hominis
,
Staphylococcus epidermidis
, alfa
Streptococcus haemolyticus
,
Enterococcus faecium
and found to have an inhibitory effect on
Klebsiella pneumoniae
and
Staphylococcus hominis
, while molecules 1, 3 and 4 had an inhibitory effect on
Staphylococcus epidermidis
and alpha
Streptococcus haemolyticus
. The experimental results were supported by the docking study using the Kinase ThiM from
Klebsiella pneumoniae
. All the investigated compounds showed an inhibitory effect for the
Staphylococcus epidermidis
protein. In addition, the mechanism of the 1–4 molecule interaction with calf thymus-DNA (CT-DNA) was investigated by UV-vis spectroscopic methods.
1,3,4-Thiadiazole molecules showed an inhibitory effect for the
Staphylococcus epidermidis
protein.