Analysis of the diffusion characteristics of therapeutic agents is imperative for designing the polymeric drug delivery systems for wound healing purposes. Natural formulations and synthetic drugs are being commonly utilized for the healing of different types of wounds. Hydrogel matrices are being preferred for sustained delivery applications due to the presence of the crosslinked network structure and the flexibility to modulate their properties as per the clinical specifications. In this thesis, an attempt has been made to analyze the diffusion characteristics of the natural and synthetic therapeutic agents in hydrogel matrices of varied pore sizes using an in silico approach. Two different theories are explored for their use in drug delivery applications and the simulation outcomes have been validated using the experimental data available in the existing literature. Variations in the transdermal drug diffusion characteristics due to the presence of the skin layers have been studied. In this talk, the objectives, significant results and salient contributions of the present work will be discussed.