Pharmaceuticals最新文献

{"title":"Effects of Psilocin and Psilocybin on Human 5-HT₄ Serotonin and H₂ Histamine Receptors in Perfused Hearts of Transgenic Mice.","authors":"Pauline Braekow, Joachim Neumann, Uwe Kirchhefer, Ulrich Gergs","doi":"10.3390/ph18071009","DOIUrl":"10.3390/ph18071009","url":null,"abstract":"<p><p><b>Background/Objectives</b>: Hallucinogenic substances such as psilocybin, psilocin, ergometrine, ergotamine, and lysergic acid diethylamide (LSD) have been demonstrated to enhance the force of contraction (FOC), in part due to the phosphorylation of phospholamban in human atrial preparations via 5-HT₄ serotonin receptors and/or H₂ histamine receptors. However, whether psilocybin or psilocin acts at isolated mammalian ventricular preparations and whether they increase protein phosphorylation in the mammalian ventricle remains to be elucidated. <b>Methods</b>: To this end, the FOC and phospholamban phosphorylation in isolated perfused hearts from transgenic mice with cardiomyocyte-specific overexpression of either human 5-HT₄ receptors (5-HT₄-TG) or human H₂ receptors (H₂-TG) and their wild-type littermates (WT) were examined. Furthermore, the ergot alkaloids ergometrine, ergotamine, and LSD were used as references. <b>Results</b>: Psilocybin and psilocin enhanced the FOC to 137% and to 152%, respectively, and elevated the phospholamban phosphorylation in isolated perfused hearts from 5-HT₄-TG. In H₂-TG hearts, psilocybin and psilocin increased the FOC to a much lesser extent but had no effect on the phospholamban phosphorylation. In contrast, LSD increased the FOC and phosphorylation state of phospholamban in isolated hearts of both 5-HT₄-TG and H₂-TG. On the other hand, ergometrine and ergotamine increased the FOC only in H₂-TG. Ergometrine increased the phosphorylation state of phospholamban in perfused hearts from H₂-TG, but not from 5-HT₄-TG. Ergotamine failed to increase the phospholamban phosphorylation in both H₂-TG and 5-HT₄-TG. Psilocybin, psilocin, ergotamine, ergometrine, and LSD were unable to increase FOC and phospholamban phosphorylation in perfused hearts from WT. <b>Conclusions</b>: The increase in the phosphorylation state of phospholamban could provide a partial explanation for the positive inotropic effects and the relaxant effects of not only psilocybin and psilocin but also ergometrine and LSD in the isolated hearts of the animals used in this study.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12298466/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dopamine Partial Agonists in Pregnancy and Lactation: A Systematic Review.","authors":"Alexia Koukopoulos, Delfina Janiri, Miriam Milintenda, Sara Barbonetti, Georgios D Kotzalidis, Tommaso Callovini, Lorenzo Moccia, Silvia Montanari, Marianna Mazza, Lucio Rinaldi, Alessio Simonetti, Mario Pinto, Giovanni Camardese, Gabriele Sani","doi":"10.3390/ph18071010","DOIUrl":"10.3390/ph18071010","url":null,"abstract":"<p><p><b>Background/Objectives</b>: Dopamine partial agonists are drugs initially developed to treat schizophrenia, seeking a double effect of increased dopaminergic transmission in the prefrontal cortex and decrease in the accumbens/striatum. Of these drugs, aripiprazole, brexpiprazole, and cariprazine are currently marketed and used in schizophrenia spectrum and mood disorders. It is debated whether patients with psychiatric disorders becoming pregnant should discontinue or continue their antipsychotic treatment despite some risks for the fetus, i.e., whether it is worse to have an untreated disorder or treating it with drugs. The safety of drugs for mother and baby extend from pregnancy to the postpartum, when breastfeeding assumes great importance. We set to investigate the use of dopamine partial agonists in pregnancy and lactation. <b>Methods</b>: On 23 June 2025, we used suitable strategies for identifying cases and studies of cariprazine, aripiprazole, brexpiprazole, dopamine partial agonists in pregnancy, perinatal period, and/or lactation on PubMed, CINAHL, PsycInfo/PsycArticles, Scopus, and ClinicalTrials.gov. We used the PRISMA Statement in developing our review. We included case reports and clinical studies. We excluded reports without pregnancy or focused on other drugs than the above. We reached consensus on eligibility with Delphi rounds among all authors. <b>Results</b>: Our searches produced 386 results on the above databases. We included 24 case reports/series and 15 studies. Most studies showed no negative pregnancy outcomes. There were serious concerns about the use of dopamine D₂/D₃ partial agonists during lactation. <b>Conclusions</b>: The use of dopamine partial agonists during pregnancy appears to be safe, but during breastfeeding they should be better avoided.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12299336/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Machine Learning Platform for Isoform-Specific Identification and Profiling of Human Carbonic Anhydrase Inhibitors.","authors":"Lisa Piazza, Miriana Di Stefano, Clarissa Poles, Giulia Bononi, Giulio Poli, Gioele Renzi, Salvatore Galati, Antonio Giordano, Marco Macchia, Fabrizio Carta, Claudiu T Supuran, Tiziano Tuccinardi","doi":"10.3390/ph18071007","DOIUrl":"10.3390/ph18071007","url":null,"abstract":"<p><p><b>Background/Objectives:</b> Human carbonic anhydrases (hCAs) are metalloenzymes involved in essential physiological processes, and their selective inhibition holds therapeutic potential across a wide range of disorders. However, the high degree of structural similarity among isoforms poses a significant challenge for the design of selective inhibitors. In this work, we present a machine learning (ML)-based platform for the isoform-specific prediction and profiling of small molecules targeting hCA I, II, IX, and XII. <b>Methods:</b> By integrating four molecular representations with four ML algorithms, we built 64 classification models, each extensively optimized and validated. The best-performing models for each isoform were applied in a virtual screening campaign for ~2 million compounds. <b>Results:</b> Following a multi-step refinement process, 12 candidates were identified, purchased, and experimentally tested. Several compounds showed potent inhibitory activity in the nanomolar to submicromolar range, with selectivity profiles across the isoforms. To gain mechanistic insights, SHAP-based feature importance analysis and molecular docking supported by molecular dynamics simulations were employed, highlighting the structural determinants of the predicted activity. <b>Conclusions:</b> This study demonstrates the effectiveness of integrating ML, cheminformatics, and experimental validation to accelerate the discovery of selective carbonic anhydrase inhibitors and provides a generalizable framework for activity profiling across enzyme isoforms.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12300992/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Trends in Bioinspired Metal Nanoparticles for Targeting Drug-Resistant Biofilms.","authors":"Devaraj Bharathi, Jintae Lee","doi":"10.3390/ph18071006","DOIUrl":"10.3390/ph18071006","url":null,"abstract":"<p><p>Multidrug-resistant (MDR) biofilm infections characterized by densely packed microbial communities encased in protective extracellular matrices pose a formidable challenge to conventional antimicrobial therapies and are a major contributor to chronic, recurrent and device-associated infections. These biofilms significantly reduce antibiotic penetration, facilitate the survival of dormant persister cells and promote horizontal gene transfer, all of which contribute to the emergence and persistence of MDR pathogens. Metal nanoparticles (MNPs) have emerged as promising alternatives due to their potent antibiofilm properties. However, conventional synthesis methods are associated with high costs, complexity, inefficiency and negative environmental impacts. To overcome these limitations there has been a global push toward the development of sustainable and eco-friendly synthesis approaches. Recent advancements have demonstrated the successful use of various plant extracts, microbial cultures, and biomolecules for the green synthesis of MNPs, which offers biocompatibility, scalability, and environmental safety. This review provides a comprehensive overview of recent trends and the latest progress in the green synthesis of MNPs including silver (Ag), gold (Au), platinum (Pt), and selenium (Se), and also explores the mechanistic pathways and characterization techniques. Furthermore, it highlights the antibiofilm applications of these MNPs emphasizing their roles in disrupting biofilms and restoring the efficacy of existing antimicrobial strategies.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12300851/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Plant-Derived Exosomes: Nano-Inducers of Cross-Kingdom Regulations.","authors":"Touseef Ur Rehman, Huiliang Li, Maria Martuscelli, Francesca Aiello, Luigi Esposito, Kamran Ashraf, Meijin Guo, Ali Mohsin","doi":"10.3390/ph18071005","DOIUrl":"10.3390/ph18071005","url":null,"abstract":"<p><p>Exosomes are essential components produced by all cell types, originating from the endosomal pathway through the invagination of the cell membrane. Their unique physicochemical characteristics are crucial for various commercial applications. Typically, exosomes range in size from 50 to 200 nm. Exosomes derived from plant cells are larger than their animal cell counterparts and demonstrate a broader therapeutic potential. This review explores the promising research opportunities associated with plant-derived exosomes, summarizing studies on their biogenesis, characterization, isolation methods, and therapeutic applications. It also emphasizes the importance of targeted drug delivery and provides insights into engineering plant-derived exosomes with various drugs. Additionally, highlights of plant-derived exosomes as natural nano-inducers that facilitate inter-kingdom communication and cross-kingdom regulatory interactions are also elucidated herein. Henceforth, this study culminates in a multidimensional insight for innovative therapeutic strategies and biotechnological advancements in plant-derived exosome research.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12299123/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Accelerating Effects of Poloxamer and Its Structural Analogs on the Crystallization of Nitrendipine Polymorphs.","authors":"Jie Zhang, Qiusheng Yang, Meixia Xu, Xinqiang Tan, Xucong Peng, Ziqing Yang, Kang Li, Jia Yang, Jie Chen, Xuan Xun, Saijun Xiao, Lingjie Zhou, Minzhuo Liu, Zhihong Zeng","doi":"10.3390/ph18071000","DOIUrl":"10.3390/ph18071000","url":null,"abstract":"<p><p><b>Background:</b> Surfactants can be added into polymer-amorphous drug systems to further enhance solubility. However, this may cause amorphous drugs to become physically unstable, and the inherent mechanism at play here is not fully understood. <b>Methods:</b> We explored the effects of poloxamer, a poly (ethylene oxide)-poly (propylene oxide)-poly (ethylene oxide) (PEO-PPO-PEO) triblock copolymer surfactant, and its segments on the nucleation and growth kinetics of amorphous nitrendipine (NTP) from the melt through polarized light microscopy. The effects of poloxamer and structural analogs on the melting point and glass transition temperature were also investigated using differential scanning calorimetry. <b>Results:</b> The poloxamer and its structural analogs enhanced nucleation and growth kinetics in supercooled liquid. Poloxamer and its structural analogs exhibited similar effects on the nucleation and growth kinetics of amorphous NTP, suggesting minimal dependence on structural variation. The overall crystallization rate of the NTP increased when increasing the poloxamer content and ultimately reached a maximum value; after that, the crystallization rates of NTP decreased when increasing the poloxamer content. <b>Conclusions:</b> Poloxamer and its structural analogs achieve similar effects on crystallization due to their comparable plasticizing effects. The nucleation and growth rates show different trends as a function of the poloxamer content. This effect is a result of both kinetic and thermodynamic factors. This study is relevant to understanding the impacts of the surfactant on the physical instability of amorphous drugs.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12298067/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advanced Nanomaterials Functionalized with Metal Complexes for Cancer Therapy: From Drug Loading to Targeted Cellular Response.","authors":"Bojana B Zmejkovski, Nebojša Đ Pantelić, Goran N Kaluđerović","doi":"10.3390/ph18070999","DOIUrl":"10.3390/ph18070999","url":null,"abstract":"<p><p>Developments of nanostructured materials have a significant impact in various areas, such as energy technology and biomedical use. Examples include solar cells, energy management, environmental control, bioprobes, tissue engineering, biological marking, cancer diagnosis, therapy, and drug delivery. Currently, researchers are designing multifunctional nanodrugs that combine in vivo imaging (using fluorescent nanomaterials) with targeted drug delivery, aiming to maximize therapeutic efficacy while minimizing toxicity. These fascinating nanoscale \"magic bullets\" should be available in the near future. Inorganic nanovehicles are flexible carriers to deliver drugs to their biological targets. Most commonly, mesoporous nanostructured silica, carbon nanotubes, gold, and iron oxide nanoparticles have been thoroughly studied in recent years. Opposite to polymeric and lipid nanostructured materials, inorganic nanomaterial drug carriers are unique because they have shown astonishing theranostic (therapy and diagnostics) effects, expressing an undeniable part of future use in medicine. This review summarizes research from development to the most recent discoveries in the field of nanostructured materials and their applications in drug delivery, including promising metal-based complexes, platinum, palladium, ruthenium, titanium, and tin, to tumor cells and possible use in theranostics.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12299182/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Potential of <i>Zanthoxylum acanthopodium</i> DC. as Immunomodulators: Formulation, Activity Testing, and Extract Profiling.","authors":"Damaris Br Hutapea, Yasmiwar Susilawati, Muhaimin Muhaimin, Riezki Amalia, Aisyah Tri Mulyani, Anis Yohana Chaerunisaa","doi":"10.3390/ph18071001","DOIUrl":"10.3390/ph18071001","url":null,"abstract":"<p><p><b>Background/Objectives</b>: One of the plants found in Indonesian forests that has potential as an herbal medicine is andaliman (<i>Zanthoxylum acanthopodium</i> DC.). The fruit of <i>Z. acanthopodium</i> contains phenolic compounds that are known to modulate the immune response. The purpose of this study is to determine the extract profile and immunomodulatory activity of <i>Z. acanthopodium</i> fruit and to develop a soft capsule formulation of the extract in the form of emulsion, which stabilizes and acts as an immunomodulatory candidate. <b>Methods:</b> Extract profiling was conducted by liquid chromatography UHPLC-HRMS, and the predicted molecular structure was then used to search for the name of the compound using the mzcloud database. Immunomodulatory activity of the extract and its emulsion was assessed using a lymphocyte viability assay. The extract emulsion to be encapsulated as a soft capsule was developed by employing different types of oil and solubilizer in the oil phase, and a water phase containing the extract and two types of emulsifiers. <b>Results:</b> The chemical composition of andaliman extract was analyzed, including total phenolic content (4%), total flavonoid content (0.35%), and quercetin content (0.13%). Based on LC-HRMS analysis, eleven compounds derived from the ethanolic extract of andaliman were identified as potential immunomodulatory agents. The F3.3F formulation, which contains 30% MCT oil phase with solubilizer lauroyl-PEG-32 glycerides and a water phase with 35% Polysorbat (Tween) 80 emulsifier, provided the most stability. This stability is attributed to the presence of the Tween 80 emulsifier, which has superior wetting and washing functions, strong detergency, and good emulsifying properties compared to the PEG emulsifier used in formulation F3.3E. The survival rates in the lymphocyte cell viability test results indicate that treatment with andaliman extract (173.697% at 15.625 ppm; 174.923% at 31.25 ppm; 168.457% at 62.5 ppm) was better than treatment with kojic acid (144.375% at 15.625 ppm; 137.891% at 31.25 ppm; 146.345% at 62.5 ppm), used as the immunomodulatory agent standard. <b>Conclusions:</b> This study highlights the potential of andaliman extract as an immunomodulatory agent to be developed as an emulsion in a soft capsule.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12300626/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Towards Dual-Tracer SPECT for Prostate Cancer Imaging Using [^99mTc]Tc-PSMA-I&S and [¹¹¹In]In-RM2.","authors":"Carolina Giammei, Theresa Balber, Veronika Felber, Thomas Dillinger, Jens Cardinale, Marie R Brandt, Anna Stingeder, Markus Mitterhauser, Gerda Egger, Thomas L Mindt","doi":"10.3390/ph18071002","DOIUrl":"10.3390/ph18071002","url":null,"abstract":"<p><p><b>Background/Objectives</b>: Radiolabeled biomolecules specifically targeting overexpressed structures on tumor cells hold great potential for prostate cancer (PCa) imaging and therapy. Due to heterogeneous target expression, single radiopharmaceuticals may not detect or treat all lesions, while simultaneously applying two or more radiotracers potentially improves staging, stratification, and therapy of cancer patients. This study explores a dual-tracer SPECT approach using [¹¹¹In]In-RM2 (targeting the gastrin-releasing peptide receptor, GRPR) and [^99mTc]Tc-PSMA-I&S (targeting the prostate-specific membrane antigen, PSMA) as a proof of concept. To mimic heterogeneous tumor lesions in the same individual, we aimed to establish a dual xenograft mouse model for preclinical evaluation. <b>Methods</b>: CHO-K1 cells underwent lentiviral transduction for human GRPR or human PSMA overexpression. Six-to-eight-week-old female immunodeficient mice (NOD SCID) were subsequently inoculated with transduced CHO-K1 cells in both flanks, enabling a dual xenograft with similar target density and growth of both xenografts. Respective dual-isotope imaging and γ-counting protocols were established. Target expression was analyzed <i>ex vivo</i> by Western blotting. <b>Results</b>: <i>In vitro</i> studies showed similar target-specific binding and internalization of [¹¹¹In]In-RM2 and [^99mTc]Tc-PSMA-I&S in transduced CHO-K1 cells compared to reference lines PC-3 and LNCaP. However, <i>in vivo</i> imaging showed negligible tumor uptake in xenografts of the transduced cell lines. <i>Ex vivo</i> analysis indicated a loss of the respective biomarkers in the xenografts. <b>Conclusions</b>: Although the technical feasibility of a dual-tracer SPECT imaging approach using ¹¹¹In and ^99mTc has been demonstrated, the potential of [^99mTc]Tc-PSMA-I&S and [¹¹¹In]In-RM2 in a dual-tracer cocktail to improve PCa diagnosis could not be verified. The animal model, and in particular the transduced cell lines developed exclusively for this project, proved to be unsuitable for this purpose. The <i>in</i>/<i>ex vivo</i> experiments indicated that results from an <i>in vitro</i> model may not necessarily be successfully transferred to an <i>in vivo</i> setting. To assess the potential of this dual-tracer concept to improve PCa diagnosis, optimized <i>in vivo</i> models are needed. Nevertheless, our strategies address key challenges in dual-tracer applications, aiming to optimize future SPECT imaging approaches.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12298007/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Stroll Through Saffron Fields, Cannabis Leaves, and Cherry Reveals the Path to Waste-Derived Antimicrobial Bioproducts.","authors":"Stefania Lamponi, Roberta Barletta, Michela Geminiani, Alfonso Trezza, Luisa Frusciante, Behnaz Shabab, Collins Nyaberi Nyong'a, Annalisa Santucci","doi":"10.3390/ph18071003","DOIUrl":"10.3390/ph18071003","url":null,"abstract":"<p><p><b>Background:</b> The accumulation of agri-food waste is a major environmental and economic challenge and converting these by-products into bioactive compounds fits within the circular bioeconomy. This study aimed to evaluate the antimicrobial potential of extracts derived from <i>Cannabis sativa</i> L. leaves (CSE), <i>Crocus sativus</i> tepals (CST), and <i>Prunus avium</i> L. cherry waste (VCE) against four key bacterial species (<i>Staphylococcus aureus</i>, <i>Bacillus subtilis</i>, <i>Escherichia coli</i>, and <i>Pseudomonas aeruginosa</i>). <b>Methods:</b> Minimum inhibitory concentration (MIC) assays were performed to assess antibacterial activity, while a bioinformatic pipeline was implemented to explore possible molecular targets. Full-proteome multiple sequence alignments across the bacterial strains were used to identify conserved, strain-specific proteins, and molecular docking simulations were applied to predict binding interactions between the most abundant compounds in the extracts and their targets. <b>Results:</b> CSE and CST demonstrated bacteriostatic activity against <i>S. aureus</i> and <i>B. subtilis</i> (MIC = 15.6 mg/mL), while VCE showed selective activity against <i>B. subtilis</i> (MIC = 31.5 mg/mL). CodY was identified as a putative molecular target for CSE and CST, and ChaA for VCE. Docking results supported the possibility of spontaneous binding between abundant extract constituents and the predicted targets, with high binding affinities triggering a strong interaction network with target sensing residues. <b>Conclusions:</b> This study demonstrates the antimicrobial activity of these agri-food wastes and introduces a comprehensive in vitro and in silico workflow to support the bioactivity of these agri-food wastes and repurpose them for innovative, eco-sustainable applications in the biotechnology field and beyond.</p>","PeriodicalId":20198,"journal":{"name":"Pharmaceuticals","volume":"18 7","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12299262/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144744270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}