Phycocyanin (PC) is a naturally occurring green pigment in Spirulina. It was extracted by ultrasonic extraction using green technology, and its structure was studied using IR- and NMR-spectroscopy. Spectral data confirmed the PC structure. This study also involves an in silico assessment of the diverse applications of green pigment PC. Utilizing QSAR, PreADME/T, SwissADME, and Pro-Tox, this study explores the safety profile, pharmacokinetics, and potential targets of PC. QSAR analysis reveals a favorable safety profile, with the parent structure and most metabolites showing no binding to DNA or proteins. PreADME/T indicates low skin permeability, excellent intestinal absorption, and medium permeability, supporting oral administration. Distribution analysis suggests moderate plasma protein binding and cautious blood–brain barrier permeability, guiding formulation strategies. Metabolism assessments highlight interactions with key cytochrome P450 enzymes, influencing drug interactions. Target prediction analysis unveils potential targets, suggesting diverse therapeutic effects, including cardiovascular benefits, anti-inflammatory activities, neuroprotection, and immune modulation. Based on the in silico analysis, PC holds promise for various applications due to its safety, bioavailability, and potential therapeutic benefits. Experimental validation is crucial to elucidate precise molecular mechanisms, ensuring safe and effective utilization in therapeutic and dietary contexts. DFT calculations, including geometry optimization, MEP analysis, HOMO-LUMO energy surface, and quantum reactivity parameters of the PC compound, were obtained using the B3LYP/6–311G(d,p) level. This integrated approach contributes to a comprehensive understanding of PC’s pharmacological profile and informs future research directions.

St. John’s wort is a medicinal herb well-known for its antidepressant, anti-inflammatory, antimycotic, and wound-healing properties. Hyperforin, the major phloroglucinol derivative, has been implicated as one of the main contributors to these therapeutic effects. Because of its high reactivity, this phytochemical can cause various adverse effects, such as allergic reactions, dizziness, dry mouth, and fatigue. To predict critical parameters of hyperforin’s possible behavior after oral administration, in silico methods were applied. The pharmacokinetic profile, bioactivity, and toxicity of the phytochemical were analyzed by applying Molinspiration cheminformatics, SwissADME, PreADME/Tox, and OECD QSAR Toolbox software. The results showed adequate absorption, a high affinity for plasma proteins, and a prolonged renal excretion of the acylphloroglucinol. The high metabolic activity, a reason for potential cyto- and genotoxicity, and the predicted carcinogenicity and mutagenicity of hyperforin, necessitate further in vitro and in vivo tests.

Terpenes represent a structurally diverse class of natural compounds with increasing scientific interest due to their potential anti-inflammatory properties. This study investigates the in silico binding behavior of six plant-derived terpenes—α-pinene, β-pinene, menthol, camphor, limonene, and linalool—against four key enzymes in the arachidonic acid (AA) metabolic pathway: cyclooxygenase-1 (COX-1), cyclooxygenase-2 (COX-2), 5-lipoxygenase (5-LOX), and phospholipase A2 (PLA₂). AA serves as a reference for binding energy comparison. Blind rigid-body molecular docking is performed using AutoDock 4.2 and the Lamarckian Genetic Algorithm, with 100 runs per ligand–enzyme pair and the energy-based selection of optimal poses. The analysis includes binding energy (ΔG), inhibition constants (Ki), root-mean-square deviation (RMSD), and residue-level interactions. Several terpenes exhibit favorable binding energies and inhibition constants across the evaluated enzymes. For COX-1 and COX-2, menthol and camphor show low Ki values, indicating stable binding. Menthol and limonene also show the strongest affinities for PLA₂, exceeding AA. The focus is on compounds with potential to modulate arachidonic acid metabolism. In this context, β-pinene engages the catalytic site of PLA₂, linalool forms multiple contacts within key regions of 5-LOX, and menthol, α-pinene, and β-pinene align with functionally important regions in both COX isoforms. These targeted interactions suggest that the highlighted compounds may selectively interfere with enzymatic activity in inflammation-related pathways. By modulating key steps in AA metabolism, these terpenes may influence the biosynthesis of pro-inflammatory mediators, offering a promising avenue for the development of safer, plant-derived anti-inflammatory agents. The findings lay the groundwork for further experimental validation and the structure-based optimization of terpene-derived modulators.

Wild mushroom consumption is widespread worldwide and remains an important cause of foodborne intoxication. This concise review analyzes recent literature on the geographic distribution of poisonous wild mushrooms and the epidemiological patterns of intoxication reported in Asia, Europe, and the Americas. Most poisoning incidents occur as a result of the misidentification of toxic species as edible during mushroom foraging. Alongside well-known poisonous mushrooms, several newly identified toxic species have been reported in recent years. The available epidemiological evidence demonstrates clear regional clustering of poisoning incidents, pronounced seasonal peaks associated with mushroom growth, and a predominance of cases in populations where wild mushroom foraging is a traditional practice. Amatoxin-containing species of the genus Amanita remain the leading cause of severe and fatal intoxications worldwide. Overall, the analyzed studies indicate that wild mushroom poisoning continues to represent a significant food safety and public health concern, particularly in Asia and parts of Europe. Improved toxicological surveillance, public awareness, and timely clinical management are essential for reducing morbidity and mortality associated with these intoxications.