Osmanthus fragrans (Thunb.) Lour. flowers (OF-F) have been traditionally consumed as a functional food and utilized as folk medicine. This study evaluated the antioxidant, anti-inflammatory and cytotoxic effects of OF-F extracts on prostate cancer cells (DU-145) and determined possible protein-ligand interactions of its compounds in silico. The crude OF-F extracts—water (W) and ethanol (E) were tested for phytochemical screening, antioxidant, anti-inflammatory, and anti-cancer. Network and molecular docking analyses of chemical markers were executed to establish their application for anticancer drug development. OF-F-E possessed higher total polyphenols (233.360 ± 3.613 g/kg) and tannin (93.350 ± 1.003 g/kg) contents than OF-F-W. In addition, OF-F-E extract demonstrated effective DPPH scavenging activity (IC₅₀ = 0.173 ± 0.004 kg/L) and contained a high FRAP value (830.620 ± 6.843 g Trolox/kg). In cell culture experiments, OF-F-E significantly reduced NO levels and inhibited cell proliferation of RAW-264.7 and DU-145 cell lines, respectively. Network analysis revealed O. fragrans (Thunb.) Lour. metabolites could affect thirteen molecular functions and thirteen biological processes in four cellular components. These metabolites inhibited key proteins of DU-145 prostate cancer using molecular docking with rutin owning the highest binding affinity with PIKR31 and AR. Hence, this study offered a new rationale for O. fragrans (Thunb.) Lour. metabolites as a medicinal herb for anticancer drug development.

Perilla frutescens (L.) Britt. is extensively cultivated in East Asia as a dietary vegetable, and nutraceuticals are reportedly rich in bioactive compounds, especially with anticancer activities. This study explored the in vitro cytotoxic effects of P. frutescens parts’ (stems, leaves, and seeds) extracts on prostate cancer cells (DU-145) and possible interactions of putative metabolites to related prostate cancer targets in silico. The ethanol extract of P. frutescens leaves was the most cytotoxic for the prostate cancer cells. From high-performance liquid chromatography analysis, rosmarinic acid was identified as the major metabolite in the leaf extracts. Network analysis revealed interactions from multiple affected targets and pathways of the metabolites. From gene ontology enrichment analysis, P. frutescens leaf metabolites could significantly affect 14 molecular functions and 12 biological processes in five cellular components. Four (4) KEGG pathways, including for prostate cancer, and six (6) Reactome pathways were shown to be significantly affected. The molecular simulation confirmed the interactions of relevant protein targets with key metabolites, including rosmarinic acid. This study could potentially lead to further exploration of P. frutescens leaves or their metabolites for prostate cancer treatment and prevention.

Polylactic acid (PLA) is a biodegradable polymer, which has been widely investigated for use in biomedical and packaging applications due to its excellent biodegradability, biocompatibility, non-toxicity, low cost, good stability, and thermal processability. In this work, PLA was functionalized to improve the membrane’s hydrophilicity and impart antimicrobial activity by simultaneously depositing polydopamine (PDA) and chelating Cu²⁺ metal ions on the membrane surface. Pristine PLA films were modified via one-pot dip coating method using dopamine-copper (II) solution at different coating times (6, 12, 24 h). FTIR analysis confirmed the deposition of PDA on the modified membranes (PLA/PDA/Cu) as indicated by the presence of catechol and amine moieties on the samples. TGA results revealed the degradation of the same functional groups on PLA/PDA/Cu. The hydropilicity of PLA was significantly reduced upon coating with PDA as indicated by the decrease in the membrane’s contact angle from 96.5 ± 5.3° to 56.2 ± 4.7°. SEM images and EDS results clearly showed that copper particles were deposited on the PLA/PDA/Cu membranes (atomic % ~ up to 0.88) and coating with PDA did not alter the porous structure of the pristine PLA film. Results also demonstrated that the concentration of copper immobilized on the modified membranes increased with longer coating; thus, offering a way of tailoring the metal concentration on the membrane for its specific use. PLA/PDA/Cu membranes showed antibacterial property against the B. subtilis, which could be attributed to the chelation of Cu²⁺ ions with the catechol moiety of the PDA coating.

Parkinson’s disease (PD) is one of the large-scale health issues detrimental to human quality of life, and current treatments are only focused on neuroprotection and easing symptoms. This study evaluated in silico binding activity and estimated the stability of major metabolites in the roots of R. palmatum (RP) with main protein targets in Parkinson’s disease and their ADMET properties. The major metabolites of RP were subjected to molecular docking and QSAR with α-synuclein, monoamine oxidase isoform B, catechol o-methyltransferase, and A_2A adenosine receptor. From this, emodin had the greatest binding activity with Parkinson’s disease targets. The chemical stability of the selected compounds was estimated using density functional theory analyses. The docked compounds showed good stability for inhibitory action compared to dopamine and levodopa. According to their structure–activity relationship, aloe-emodin, chrysophanol, emodin, and rhein exhibited good inhibitory activity to specific targets. Finally, mediocre pharmacokinetic properties were observed due to unexceptional blood–brain barrier penetration and safety profile. It was revealed that the major metabolites of RP may have good neuroprotective activity as an additional hit for PD drug development. Also, an association between redox-mediating and activities with PD-relevant protein targets was observed, potentially opening discussion on electrochemical mechanisms with biological functions.

Volatile organic compounds (VOCs) are common organic pollutants that can cause adverse effects on human health. Treatment techniques, including photocatalytic oxidation, have been studied to remediate VOCs. Acetone was used as a model pollutant to investigate the photocatalytic degradation performance of electrospun photocatalytic nanofibers with synthesized flower-like titanium dioxide (F-TiO₂) and cellulose acetate (CA). The synthesized F-TiO₂ and photocatalytic nanofibers were characterized using FE-SEM, XRD, FTIR, UVVis, XPS, and a pore size and porosity analyzer. The addition of F-TiO₂ decreases the diameter of the nanofibers. The photocatalytic degradation performance test showed an enhanced acetone degradation efficiency on F-TiO₂/CA photocatalytic nanofibers (FT-CFs), with an up to 95.0% acetone degradation efficiency under optimum conditions, over P25 TiO₂/CA photocatalytic nanofibers (T-CFs). The filtration efficiency of 3.0%FT-CF reached 99.9% with a filter basis weight of 0.660 g m⁻² and face velocity of 5.0 cm⁻¹ s. The filtration and photocatalytic degradation cycle tests revealed excellent reusability, with 97% particle filtration and no sign of material deterioration. Moreover, the biodegradability tests showed that the material can biodegrade in water and in soil for 30 and 40 days, respectively. This study demonstrates that electrospun FT-CFs exhibit exceptional photocatalytic degradation of acetone, a high filtration efficiency, excellent reusability, and biodegradability, making them a promising solution for VOC remediation.