Abstract
Two metal complexes of theophylline were synthesized. Namely, 1 with the formula [Cu(theop)2(H2O)3]·2H2O and 2, [Zn(theop)2]∙H2O (where: theop = theophylline ion). Their properties were thoroughly investigated by the elemental analysis (EA), flame atomic absorption spectrometry (FAAS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) that were augmented by antimicrobial and antioxidant analyses. Their radical scavenging ability (RSA) is notably higher than that of a pure theophylline itself. Similarly to theophylline complexes already studied by us 3, [Mn(theop)2(H2O)4] 4, [Co(theop)2(H2O)4] and 5, [Ni(theop)2(H2O)4] title compounds are inactive against Gram-negative bacteria, but they show moderate or mild activity against Gram-positive rods. The low temperature, single crystal X-ray diffraction technique determines the crystal structure of 1. Its supramolecular crystal topology is affected by the unique, double palindrome water chain that formed by two conserved and a sole coordinated water molecules. Crystal packing arrangements were characterized by fingerprint plots that were derived from the Hirshfeld surfaces (HS), as calculated for all structures in the series 1, 3, 4, 5.
Highlights
Xanthine alkaloids are among pharmacological agents extensively used worldwide [1].They naturally occur in cacao beans and popular beverages, like tea or coffee [2,3,4]
Compounds 1 and 2 are air stable at room temperature. They are moderately soluble in water, while being well soluble in popular polar organic solvents (e.g. DMF, DMSO, methanol, and ethanol)
Their properties were thoroughly investigated by the flame atomic absorption spectrometry (FAAS), elemental analysis (EA), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis augmented by antimicrobial and antioxidant analyses
Summary
Xanthine alkaloids are among pharmacological agents extensively used worldwide [1] They naturally occur in cacao beans and popular beverages, like tea or coffee [2,3,4]. At the beginning of the 20th century, theophylline was introduced into the pharmaceutical market It found application as a diuretic [13], and was further used in the treatment of either asthma or chronic obstructive pulmonary disease [14,15]. The pharmacological action of theophylline follows its ability to relax smooth muscle (bronchi and pulmonary blood vessels) and modulate breathing activity. It stimulates the myocardium and the central nervous system and decreases peripheral and venous
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