The spread of various diseases has caused researchers to pay special attention to the methods’ development delivering drugs to the target organs in the body in addition to producing new and efficient drugs. One of the ways to deliver drugs in a targeted manner to the desired organs is the targeted release of drugs by nanoscale carriers, which has been widely discussed and investigated today. Therefore, the aim of this study was to simulate the controlled release of dexpanthenol from electrospun nanofibers. At first, the desired data were collected from studies and experimental sources, and then all the data were entered into the COMSOL software version 6, and the simulation of the dexpanthenol drug carrier was done in 3D. In order to optimize the advanced drug release system, two laboratory systems were used to calculate the optimal diffusion coefficient, and the optimal diffusion coefficient was obtained using MATLAB software 3.85*10-11 m2/s. The simulation time was considered to be 72 hours, and after using the optimal diffusion coefficient, it was determined that with the passage of time up to 70 hours, the concentration of the drug has decreased a lot, so that the concentration of the drug at the initial time and the beginning of the release is equal to 320 mol/m3 and while reaching the time of 7 hours, the concentration of the drug in the carrier has reached below 100 mol/m3. Also, based on the fact that the released concentration of the drug was investigated in three different environments: skin, fat, and muscle, it was found that as the release time passes, the release rate in the skin environment increases and then decreases, and in the fat environment, up to 30 hours. The concentration of the drug has always been increasing, which is related to the high release rate of the drug in this environment. Also, the drug showed an increasing behaviour in the muscle environment, with the difference that the concentration of the drug in this environment was much lowe