Recent interest has focused on the biosynthesis of metal nanoparticles (NPs), particularly from plants. The production of precipitate served as an early indicator of the presence in the present study's use of ZnO NPs green synthesis of these particles, which was further validated by; Fourier transform infrared spectroscopy, x‐ray diffraction. Additionally, the Brunauer–Emmett–Teller was used to calculate the surface area, which came out to be 119.12 m2/g. Since the true effects of new pollutants, including medicines, on the environment and human health are not well understood, their presence in aquatic systems poses a severe hazard. For this reason, the antibiotic Ibuprofen (IBP) was absorbable to ZnO‐NPs in this search. As opposed to fitting to Langmuir isothermally, the adsorption process was discovered to be pseudo‐second‐order kinetically, and the reaction was determined to be a chemisorption process. The process was endothermic and spontaneous, according to thermodynamic studies. Maximizing IBP removal from aqueous solution required the use of a Box–Behnken surface statistical design with four components, four levels, and response surface modeling. Solution pH, IBP concentration, duration, and dose were the four parameters that were utilized. The regeneration process, which is employed for five cycles with excellent efficiency, is the best benefit of using ZnO‐NPs. Examine the elimination of pollutants from actual samples as well. However, the adsorbent is quite effective at reducing biological activity. At high concentrations of ZnO‐NPs demonstrated notable antioxidant activity and Red Blood Cell (RBC) hemocompatibility and no discernible hemolysis was seen. ZnO‐NPs demonstrated a notable percent suppression of α‐amylase up to 53.6% at 400 μg/mL, and so displayed potential as an antidiabetic. Cyclooxygenase was suppressed by ZnO‐NPs in an anti‐inflammatory test (COX‐1 & COX‐2) up to 56.32% and 52.04% at a concentration of 400 μg/mL, respectively. Significant anti‐Alzheimer potential was demonstrated by ZnO‐NPs at 400 μg/mL by inhibiting Acetyl cholinesterase and Butyl cholinesterase up to 68.98 ± 1.62% and 62.36%, respectively. We concluded that guava extract is helpful for ZnO‐NP reduction and capping. The bioengineered NPs could prevent Alzheimer's, diabetes, and inflammation and were biocompatible.