This paper reports the results of the PLGA–TiO₂ nanocomposite regarding the green synthesis of titanium dioxide nanoparticles using a natural extract, its characterization, and encapsulation with poly(lactic-co-glycolic acid) (PLGA). UV–visible spectrometry was used for the identification of terpenes present in the extracts. The morphology of the nanoparticles was determined by scanning electron microscopy. Infrared spectroscopy was used for the determination of functional groups, while X-ray diffraction was used to determine the crystal structure. The analysis of the extended release of the encapsulated extract in the matrix of the nanomaterial resulted in a maximum visible UV absorbance at approximately 260 nm and confirmed the synthesis of titanium dioxide nanoparticles. Moreover, terpenes enhance synthesis and stabilize titanium dioxide nanoparticles. The synthesized structures are spherical and amorphous, 44 nm in size, and encapsulated at 65 nm.

The pharmaceutical industry is a major source of pollution in wastewater effluents, characterized by chemical residues that are complex and difficult to degrade. Naproxen, a commonly detected drug in sewage effluents, exceeds safe concentrations for aquifers and is highly persistent, posing significant risks to aquatic life and ecosystems. This drug is known to cause long-term side effects in humans, such as gastrointestinal ulcers and nephrosis, associated with frequent and prolonged use. Additionally, the recent pandemic has led to a marked increase in drug consumption over a short period, exacerbating environmental contamination. Titanium dioxide has been extensively used as a photocatalyst in recent decades, proving effective in reducing these emerging pollutants. In this study, TiO₂ doped with cerium was synthesized using the sol–gel method, with cerium concentrations varied at 1, 3, 5, and 10% by weight. The resulting nanocatalysts were characterized through nitrogen physisorption, scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-Vis diffuse reflectance spectroscopy. Photocatalytic activity was assessed using a UV-Vis spectrophotometer to monitor the degradation of the drugs. XRD analysis confirmed the crystallinity and anatase phase of TiO₂. UV-Vis diffuse reflectance spectra indicated a decrease in bandgap energy of up to 3.00 eV compared to pure TiO₂. The materials demonstrated significant degradation of naproxen (NPX) and acetaminophen (ACTP), both prepared at 30 ppm, over a 6 h reaction period.

Background/Objectives: Chronic apical periodontitis (CAP) is a persistent periapical inflammatory lesion whose treatment still fails in a substantial fraction of cases, and no molecularly targeted adjunct exists. We aimed to identify druggable hub genes and small-molecule candidates suitable for local intracanal delivery using an integrative computational pipeline. Methods: CAP-associated genes were retrieved from GeneCards and the Open Targets Platform. A protein–protein interaction network, MCODE modules, and three CytoHubba centrality algorithms were used to define hub genes. DrugClip virtual screening and ADMET filtering calibrated for intracanal safety selected candidates, which were assessed by molecular docking with AutoDock Vina, 100 ns molecular dynamics simulations, and per-snapshot binding free-energy analysis. Results: Retrieval yielded 110 non-redundant genes; inflammation was the most enriched process. Eighteen hub genes emerged, with CCL5 and CCR2 among the most central. Screening prioritized MCULE-9834903214 for CCL5 and MCULE-9117306970 for CCR2. The CCR2 complex remained stably engaged, whereas the CCL5 complex was only metastable. Per-snapshot binding free energies over 35–100 ns overlapped in central tendency (−30.5 ± 35.4 vs. −21.6 ± 66.7 kJ·mol⁻¹ for CCR2 and CCL5) but separated by dispersion, with the CCR2 energy trace being nearly twofold tighter. Conclusions: Neither docking affinity nor the mean binding free energy distinguished the leads; the consistency of the binding-energy trace did. MCULE-9117306970 is the priority candidate for experimental validation as a locally delivered anti-inflammatory adjunct against CCR2; MCULE-9834903214 requires redesign to achieve a stable polar anchor. This pipeline yields experimentally testable hypotheses rather than validated therapeutics.