In this study, a novel synthesized pearlite/ferrite/guar gum (PFG) hydrogel was evaluated. Theoretical studies using molecular dynamics simulation through the Forcite module in Material Studio 2017 showed crystal violet (CV) and naproxen (NAP) dye drug adsorption relative to other dyes and drugs. One of the best ways to remove pollutants is adsorption. With the absorption method, harmful contaminants such as CV and NAP can be removed from the water and wastewater cycle. Morphology and functional groups of natural compounds and synthesized materials were determined using FT‐IR, XRD, TGA, VSM, EDX, BET and FE‐SEM analysis. The potential of the hydrogel to effectively remove CV and NAP from a saturated solution was studied experimentally based on the efficiency of adsorbent dose, pH and temperature. The composition follows the PSO kinetically and the Langmuir model in terms of the isotherm. The maximum absorption capacity of CV (244.40 mg/g) and NAP (180.15 mg/g) in hydrogel was investigated. According to the antibacterial activity test, the synthesized hydrogel had no antibacterial properties.