A novel mononuclear Zn(II) complex [Zn(L)2] (a) (where L = 2-Hydroxy-1-naphthaldehyde-2-Aminothiophenol) was generated and studied using FT-IR, UV-Vis, Elemental analysis (C, H, N) and docking modeling. Interaction studies of [Zn(L)2] (a) with fish sperm DNA (FS-DNA) were also carried out by employing fluorescence, UV-Vis and gel electrophoresis methods. Thermodynamic values ΔH°, ΔS°, and ΔG° were also determined through these interactions. The findings highlighted the role of hydrogen bonding and Van der Waals forces towards the groove binding mode of interaction between the Zinc(II) complex and the DNA. This indicates that although the complex coordinates the DNA without altering its viscosity, it causes conformational changes that are detectable by CD spectroscopy. This finding in two senses demonstrates how complex influences DNA structure.