Study on the mode and strength of DNA interaction with Thiamine andsome of its metal complexes

DNA binding mechanism of molecules, especially metal complexes, has been studied inorder to develop anticancer drugs for several decades. In order to reduce side effects and improvethe effectiveness of treatments, researchers are trying to design and synthesize newbiometalcomplexes [۱-۳]. In this project, three complexes of the thiamine chloride (ThmCl) with theproposed formula [M(Thm)Cl۳] (M= Zn(II), Cd(II), Co(II)) and also a new salt of thiaminechloride hydrochloride, with the chemical formula of [ThiamineClH][CuCl۲], were synthesizedand characterized with elemental analysis (CHNS), FT-IR, and UV-Vis spectroscopies in allcases, and also with ۱H NMR, except in the case of Co(II) complex. In addition, the structure ofthe synthesized new thiamine chloride hydrochloride salt was characterized using X-Raycrystallography (Figure۱). The comparison of binding constants (Kb) measured from the UV–Visabsorption studies showed that the binding strength of the above compounds to ct-DNA is asfollows: ThmCl·HCl >[Zn(Thm)Cl۳] >[Cd(Thm)Cl۳] >[Co(Thm)Cl۳]. The results of viscositymeasurements indicated that the thiamine chloride hydrochloride and its complexes bind to ct-DNA via an intercalation binding mode. Moreover, the molecular docking simulation visualizedthat the thiamine and its complexes bind to DNA via an intercalation binding mode which is inagreement with the results of viscosity measurements studies.

کلیدواژه ها:

DNA interaction ، Thiamine ، Crystal structure ، Intercalation