APPLIED ORGANOMETALLIC CHEMISTRY, cilt.1, sa.1, ss.1-10, 2024 (SCI-Expanded)
In this work, 3-(pyrimidin-2-ylthio)phthalonitrile (n-MP1), non-peripherally3-(pyrimidin-2-ylthio) groups substituted Zn (II) phthalocyanine (n-MP2), andits water soluble derivative (n-MP3) have been firstly synthesized and charac-terized with spectral data. The interaction of the n-MP3 complex with DNAwas examined in vitro using UV–visible titrimetric and thermal denaturationassays and in silico by performing molecular docking studies. In addition, theantidiabetic activity of n-MP3 was revealed spectroscopically by studyingα-glucosidase inhibition activities. The spectroscopic results indicated thatn-MP3 effectively binds to CT-DNA with a Kb value of 2.0 10 5 M1 andinteracts with CT-DNA via noncovalent binding mode. Besides, dockingstudies divulged that n-MP3 exhibits a stronger binding tendency (BE:10.64 kcal/mol) with DNA than the control compounds, (7.78 kcal/mol forethidium bromide and 6.21 kcal/mol for cisplatin). Consequently, due to itsstrong DNA binding activity, n-MP3 may be suitable for antimicrobial andanticancer applications after further toxicological test systems. Also, n-MP3complex inhibited the activity of α-glucosidase with the IC 50 value of 1.44± 0.08 μM, whereas IC 50 value of acarbose was 237.24 ± 1.80 μM. Therefore, itcan be said that n-MP3 is a very effective α-glucosidase inhibitor.