Future Journal of Pharmaceutical Sciences最新文献

{"title":"Punicalagin and captopril mitigate the fibrogenic CD68+ macrophages through TGF-β1 and PPAR-γ signaling pathways in non-ischemic reactive myocardial fibrosis: a bioinformatic and in vivo experiment","authors":"Walla’a A. Osman,&nbsp;Asmaa Selmy,&nbsp;Faten A. Mahmoud,&nbsp;Nebal Gamal Abd Elwahab,&nbsp;Salwa Faisal,&nbsp;Rehab M. Lashine,&nbsp;Maha Tarek Mohammed,&nbsp;Alaa Karam Mahmoud,&nbsp;Salma Ali Algohary,&nbsp;Samah M. Elaidy,&nbsp;Amira Karam Khalifa,&nbsp;Shereen E. Elkholy","doi":"10.1186/s43094-026-00934-7","DOIUrl":"10.1186/s43094-026-00934-7","url":null,"abstract":"<div><h3>Background</h3><p>Non-ischemic reactive myocardial fibrosis (MF) is a significant global cause of chronic heart failure (CHF) related to fatalities and morbidity. Punicalagin (PUN), a primary phenolic component in pomegranate, has been acknowledged as cardioprotective agent in isoproterenol (ISO)-induced ischemic MF. However, the therapeutic roles of PUN individually and in combination with captopril in ameliorating the progression of reactive myocardial fibrosis were not previously explored.</p><h3>Aim of the study</h3><p>Our study was designed to explore the potential therapeutic benefits of PUN alone and in combination with captopril (CAP) in ISO-induced reactive MF.</p><h3>Material and methods</h3><p>Thirty-five male rats of the Sprague–Dawley species, 220–240 g, were randomly allocated across the 5 groups. Group1: Normal control; ISO Group2: received single daily subcutaneous injections of isoprenaline (5 mg/kg/day) for 10 days Captopril (CAP) group3: orally administered in a dose of 15 mg/kg/day for 60 days; PUN group4: orally administered in a dose of 200 mg/kg/day60 days, and CAP/PUN group5: rats were administered both CAP and PUN in the aforementioned doses and duration.</p><h3>Results</h3><p>Bioinformatically, CD68 protein showed co-expressional associations with TGF-β1, PPAR-γ, and Akt proteins, for which PUN displayed significant affinities via molecular docking. In ISO-injected rats, PUN and/or CAP lowered abnormally elevated parameters, but the combination therapy demonstrated superior effects in near normalizing most parameters including cardiac hemodynamics (in contrast to ISO group, HR, SBP, DBP, and DBP were by 53%, 21%, and 39%, respectively, with concomitant increase in EF by 70% and decrease in IVSD and LVDD by 43% and 66%, respectively, alongside with amelioration of the ISO-driven higher cardiac TGF-β1, Smad2/3, PTEN, and Wnt/β-catenin levels by 57%, 74%, 69%, 70% and 67%, respectively, in addition to considerable 1.6-, 1.2-, onefold, 1.45-fold increases in cardiac PPAR-γ, PI3K, <i>p</i>AKT, and Smad7 expression levels, respectively). Histopathological MF generated by ISO was reversed after PUN and/or CAP administration. The immunohistochemical study of fibrotic heart tissues revealed a noticeable increase in CD68⁺ macrophages and TGF-β1, which were reduced after PUN and/or CAP.</p><h3>Conclusion</h3><p>Phenotypical CD68⁺ macrophages have a pathophysiological role in ISO-induced reactive MF. Besides, punicalagin alone or in combination with captopril plays complementary therapeutic functions in experimentally reactive MF, suggesting their combination as a potential novel therapeutic approach for MF.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"12 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-026-00934-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Melastoma malabathricum with β-lactamase inhibitory property potentiates β-lactam antibiotic against CTX-M producing Escherichia coli","authors":"Anupama Moirangthem,&nbsp;Taranga Jyoti Baruah,&nbsp;Dipayan Das,&nbsp;Susmita Paul,&nbsp;Birson Ingti","doi":"10.1186/s43094-025-00920-5","DOIUrl":"10.1186/s43094-025-00920-5","url":null,"abstract":"<div><h3>Background</h3><p>β-lactam antibiotics are the greatest pharmaceutical development in modern medicine and are employed to treat numerous bacterial infections. Nonetheless, an alarming increase in antimicrobial resistance to β-lactam antibiotics has emerged primarily as a result of the extensive spread of β-lactamase enzymes such as extended-spectrum β-lactamases and carbapenemases, undermining the efficacy of available therapy, creating a global health problem through the rise in morbidity, mortality, and healthcare expenditure. Despite the development of β-lactamase inhibitors, the emergence of resistant β-lactamases necessitates the rapid discovery of new inhibitors or potentiators of existing antibiotics. Therefore, finding novel inhibitory compounds or a potentiator from alternative natural sources, such as medicinal plants, is imperative. Thus, this study aims to evaluate the potentiating effect of the crude extract of <i>Melastoma malabathricum</i> and other medicinal plants in combination with β-lactam antibiotics against resistant bacterial strains using in vitro as well as in silico study.</p><h3>Results</h3><p>The crude extract of <i>Melastoma malabathricum</i> was found to exhibit synergism against a CTX-M-producing <i>E. coli</i> when combined with cefotaxime, whose association of synergy with β-lactamase inhibition was confirmed using micro-iodometric assay and agar-based diffusion bioassay. It was further validated by molecular docking of the phytocompounds from the GC–MS study, in which 1,2-benzenedicarboxylic acid/NSC5348 exhibited the best binding energy with potential interactions with the active amino acid sites of the CTX-M. Thus, this compound was further chosen for a molecular dynamics simulation study with CTX-M-14, in which the complex was found to have good stability with consistent conformation throughout the simulation. Moreover, NSC5348 cleared drug-likeness filters.</p><h3>Conclusion</h3><p>This finding highlights the β-lactamase inhibitory potential of <i>Melastoma malabathricum</i>, which may also act as a potentiator of β-lactams against the CTX-M producers. Thus, <i>Melastoma malabathricum</i> shows promise for use in combination therapy to combat drug resistance.</p></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"12 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00920-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145982749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Circulating lncRNA TUSC7 and its targets miR-616/SOX7 as diagnostic and prognostic panel for early detection and metastatic progression of breast cancer","authors":"Tarek Kamal Motawi,&nbsp;Dina Hussien Bakry,&nbsp;Olfat G. Shaker,&nbsp;Nevine Fathy","doi":"10.1186/s43094-025-00922-3","DOIUrl":"10.1186/s43094-025-00922-3","url":null,"abstract":"<div><h3>Background</h3><p>Breast cancer (BC) is a complex malignancy, impacting a considerable number of women worldwide. Devastating evidence annotated the contribution of dysregulated non-coding RNAs in the evolution and diagnosis of BC. Bioinformatics analyses were employed to select the markers; long non-coding RNA tumor suppressor candidate 7 (TUSC7), its target miR-616, and the associated tumor suppressor Sex Determining Region Y-Box 7 (SOX7) as potential therapeutic targets in BC pathogenesis and metastasis, pertaining to their predictive and discriminating capacities. Herein, 100 subjects were enrolled; 60 BC patients (40 non-metastatic, 20 metastatic), along with 20 fibroadenoma patients, and 20 healthy volunteers.</p><h3>Results</h3><p>Serum TUSC7 and SOX7 were significantly downregulated, whereas miR-616 was significantly upregulated in BC patients versus both controls and fibroadenoma patients. As well, these alterations were more prominent in metastatic versus non-metastatic BC patients. ROC analysis identified SOX7 as an excellent discriminator between BC patients and controls (AUC = 0.91, <i>p</i> &lt; 0.0001) and between metastatic and non-metastatic cases (AUC = 0.766, <i>p</i> = 0.0009). Meanwhile, TUSC7 demonstrated an outstanding discriminative power between BC and fibroadenoma (AUC = 0.933, <i>p</i> &lt; 0.0001). Furthermore, univariate and multivariate logistic analyses revealed the capabilities of TUSC7, miR-616, and SOX7 as significant predictors of BC risk; meanwhile, only SOX7 was identified as a significant predictor of BC metastasis. Combining TUSC7, miR-616, and SOX7 in a predictive panel showed substantial diagnostic accuracy for BC (AUC = 0.978, 95% CI = 0.9567–1.000, <i>p</i> &lt; 0.0001).</p><h3>Conclusion</h3><p>Collectively, this study configures TUSC7/miR-616/SOX7 panel as a novel prospective biomarker and therapeutic target for BC and accentuates SOX7 as a potential predictor of tumor aggressiveness and metastatic behavior.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"12 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00922-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145982563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid RP-HPLC optimization for efficient determination of nebivolol hydrochloride in bulk and tablet dosage form: application of Box-Behnken design","authors":"Kaveri T. Vaditake,&nbsp;Atul A. Shirkhedkar","doi":"10.1186/s43094-025-00930-3","DOIUrl":"10.1186/s43094-025-00930-3","url":null,"abstract":"<div><h3>Background</h3><p>Nebivolol hydrochloride (NBH) is a β-blocker known for its vasodilatory effects. According to the literature, it is commonly used to treat hypertension. Detecting drug molecules in bulk and tablet forms using statistical design is of significant importance in analytical science. Therefore, the objective of this work was to apply statistical experimental design principles to analyze NBH, utilizing a Box-Behnken design (BBD) to optimize the mobile phase composition.</p><h3>Results</h3><p>In this work, NBH was separated using an Inertsil ODS-3 V column with an optimized mobile phase consisting of 40:60% v/v acetonitrile (ACN) and 0.1% trifluoroacetic acid (TFA) in HPLC-grade Milli-Q water. The flow rate was programmed at 1 mL/min, and the column oven temperature was set at 40 °C ± 1 °C. Here, measurement was performed at 282 nm, with a retention time (Rt) of 5.41 min. Analysis of NBH in the marketed tablet formulation (Nebistar 10 mg) showed that the percentage of the labeled claim was consistent with the actual label claim. Additionally, the established method was validated in accordance with ICH guidelines.</p><h3>Conclusion</h3><p>The liquid chromatographic procedure developed is precise, accurate, and reliable, as indicated by %RSD values of less than 2%. As a result, it demonstrates significant potential for broad application in the analysis of NBH in both bulk and tablet formulations.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"12 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00930-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145982560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Prevalence of prescription and over-the-counter drug misuse for performance enhancement in Jordanian gyms: a cross-sectional study","authors":"Leena Ahmad,&nbsp;Anas Khaleel,&nbsp;Saba Alshatali,&nbsp;Omar Salim Dahbour,&nbsp;Yazan Ahmad Abdelaziz,&nbsp;Ahmad Al Athamneh","doi":"10.1186/s43094-025-00927-y","DOIUrl":"10.1186/s43094-025-00927-y","url":null,"abstract":"<div><h3>Background</h3><p>The non-sporting gym-goers are also turning to the use of performance-enhancing substances (PES) without medical guidance; according to recent statistics within the Middle East, there is also a rising pattern of abuse.</p><h3>Methods</h3><p>Following the escalating popularity of performance-enhancing substances among physically active groups, we conducted a cross-sectional survey of 300 gym users in Jordan between October 2023 and January 2024 via an Internet-based survey. The questionnaire, in a structured format, touched on sociodemographic factors, physical activities, knowledge, and information on performance-enhancing drugs, their actual use, and perceived negative health consequences. The statistical associations were tested using Fisher's exact tests, and multivariate logistic regression models were used to obtain adjusted odds ratios.</p><h3>Results</h3><p>Overall, 35.3% reported PES use. Use concentrated among males (48.9% of men vs 13.8% of women) and professional-level trainees (63.3% vs 19.7% of amateurs). Common products included protein and amino acids; 7.3% reported testosterone-based agents and 4.7% clenbuterol. Users more frequently reported heart palpitations and digestive complaints; the rate of any adverse event was 28.6% in users vs 6.2% in non-users. In adjusted models, male sex and professional training level remained strong predictors of PES use (AORs with 95% CIs reported in Table 1).</p><h3>Conclusions</h3><p>PES misuse is common in Jordanian gyms and clusters among higher-intensity male trainees, with non-medical information sources predominating. Findings support gym-linked pharmacist counseling, targeted education for high-risk groups, and stronger JFDA oversight in fitness settings.</p></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"12 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00927-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145982562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: In vitro and in vivo evaluation of crosslinked wound dressing loaded with combined rosuvastatin calcium and levofoxacin simultaneously determined by eco‑friendly spectrophotometric method","authors":"Marwa A. Abd El‑Fattah,&nbsp;Asmaa O. El-Demerdash,&nbsp;Heba A. Eassa,&nbsp;Kamilia H. A. Mohammed,&nbsp;Israa A. Khalil,&nbsp;Asmaa H. Esmaeil,&nbsp;Shimaa E. Abdel Aziz,&nbsp;Omnia M. Amin","doi":"10.1186/s43094-025-00921-4","DOIUrl":"10.1186/s43094-025-00921-4","url":null,"abstract":"","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"12 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00921-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring proliposome-embedded solid fenofibrate formulations: a comparative study with nanoparticulate tablets to enhance oral absorption","authors":"Sachin Salampure,&nbsp;Swaroop R. Lahoti","doi":"10.1186/s43094-025-00925-0","DOIUrl":"10.1186/s43094-025-00925-0","url":null,"abstract":"<div><h3>Background</h3><p>The low oral bioavailability of poorly water-soluble drugs poses a challenge during drug development. Fenofibrate has low aqueous solubility and poor oral absorption. The aim of the present work was to develop proliposome formulations of fenofibrate using lipid hydration and lyophilization techniques. The proliposome formulation was optimized by applying a 3² full factorial design by selecting the concentrations of phosphatidylcholine and cholesterol as independent variables and percent entrapment efficiency as the response variable. Tablet and capsule formulations of proliposomes were developed and compared with fenofibrate nanoparticulate tablets prepared by milling.</p><h3>Results</h3><p>The homogenized liposomal dispersion formulation (T8) and nanoparticulate tablet had final average median particle sizes (D50) of 151 nm, 148 nm and 224 nm, respectively. There was significantly less drug release from the proliposome formulations than from the nanoparticulate tablet, which exhibited complete drug release in 60 min. A pharmacokinetic study revealed that the proliposome-containing capsule formulation (T8-C) had greater bioavailability than did the proliposome tablet and nanoparticulate tablet.</p><h3>Conclusion</h3><p>The proliposome formulation was stable and could be developed into a solid dosage form, such as capsules, tablets, or powders, for oral suspension. Additionally, the proliposome formulation demonstrated greater absorption than the nanoparticulate fenofibrate tablet developed using wet milling/grinding technology.</p></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"11 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00925-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145887160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of NFKBIA and PTPN22 genes polymorphism in acute rejection susceptibility after living donor liver transplantation in Egyptian patients","authors":"Kareem A. Abdel Aziz,&nbsp;Manar Salah,&nbsp;Sara Mohamed Abdel Motaleb,&nbsp;Radwa Samir Hagag,&nbsp;Monda M. M. Badawy,&nbsp;Gehan R. Abdel‑Hamid,&nbsp;Nermeen M. ElBakary,&nbsp;Safaa Ragab Askar","doi":"10.1186/s43094-025-00919-y","DOIUrl":"10.1186/s43094-025-00919-y","url":null,"abstract":"<div><h3>Background</h3><p>Acute cellular rejection (ACR) is a life-threatening event that mostly occurs in the first month after liver transplantation. Genetic polymorphisms in the nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor-alpha (NFKBIA) and protein tyrosine phosphatase non-receptor (PTPN22) genes are linked to organ rejection. Our study aimed to assess whether NFKBIA (rs696;126 G/A) and PTPN22 (rs2476601;1858G/A) gene polymorphisms are associated with ACR in liver transplant (LT) Egyptian recipients.</p><h3>Methods</h3><p>Our study was observational prospective cohort study. The study was conducted on LT Egyptian recipients on immunosuppression to investigate the influence of NFKBIA (rs696;126 G/A) and PTPN22 (rs2476601;1858G/A) gene polymorphism on the incidence of ACR after liver transplantation.</p><h3>Results</h3><p>Our study enrolled ninety-eight patients. Twenty-nine patients experienced ACR, while 69 patients showed no ACR. The homozygous allele (GG) of the PTPN22 (rs2476601;1858G/A) gene had lower rejection episodes when compared with heterozygous genotypes. Higher trough levels of tacrolimus and cyclosporin have shown a lower risk of ACR (<i>p</i> = 0.044 and <i>p</i> = 0.008), respectively.</p><h3>Conclusion</h3><p>Trough levels of immunosuppressant are not the only predictor for ACR but also genetic polymorphism plays a role.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"11 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00919-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145730033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and anti-inflammatory, analgesic, and anti-ulcerogenic bioevaluation of new indole bioconjugates","authors":"Savita Belwal,&nbsp;Venkata Krishna Reddy,&nbsp;Ram Bhavani,&nbsp;Vasudha Bakshi","doi":"10.1186/s43094-025-00905-4","DOIUrl":"10.1186/s43094-025-00905-4","url":null,"abstract":"<div><h3>Background</h3><p>A new series of <i>N</i>-(3-(1H-indol-5-yl) phenyl) (5a–5j) derivatives and <i>(4-(1H-indol-5-yl)piperazin-1-yl)(phenyl)methanone</i> (9a–9j) derivatives was designed and synthesized to explore their potential anti-inflammatory, analgesic, and ulcerogenic activities using established in vivo models. To further elucidate the interaction mechanisms and predict binding affinities, molecular docking studies were conducted for all the synthesized compounds using crystallographic structure of the human cyclooxygenase-2 (hCOX-2) enzyme. The docking scores were compared with rofecoxib, a well-known selective COX-2 inhibitor, serving as the reference standard. The study aimed to identify novel compounds with potent therapeutic efficacy and reduced gastrointestinal side effects.</p><h3>Results</h3><p>Compounds 5a–5j and 9a–9j were evaluated for anti-inflammatory activity using the carrageenan-induced paw edema model. Compounds showing significant anti-inflammatory effects were further assessed for analgesic and anti-ulcer activities. Among them, compounds 5f, 5j, 9e, and 9j exhibited notable binding affinities in molecular docking studies against hCOX-2, correlating well with their observed in vivo pharmacological activities. Compounds 5f and 5j emerged as the most potent candidates, demonstrating strong anti-inflammatory activity, significant analgesic effects, and excellent ulcer-protective properties. In contrast, compounds 9e and 9j showed moderate anti-inflammatory and analgesic activity. Remarkably, compounds 5f and 5j provided maximum protection against aspirin-induced gastric mucosal damage, with ulcer inhibition rates of 91.85 and 91.39%, respectively, compared to the standard anti-ulcer agent, ranitidine.</p><h3>Conclusions</h3><p>In the present study, the synthesized compounds were evaluated for their pharmacological effects using the carrageenan-induced paw edema method for anti-inflammatory activity, the hot plate method for analgesic activity, and the aspirin-induced ulcer model for anti-ulcer activity. Complementary molecular docking studies were performed to assess the binding affinities of the compounds to the hCOX-2 enzyme, and those with favorable docking scores were selected for in vivo evaluation. The results demonstrated that several synthesized compounds exhibited significant anti-inflammatory, analgesic, and anti-ulcer activities, highlighting their potential as therapeutic agents.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"11 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00905-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145675218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A multi-target computational approach to target the polycystic ovary syndrome receptors using natural compounds","authors":"Naina Rajak,&nbsp;Vinay Kumar Singh,&nbsp;Vipendra Kumar Singh,&nbsp;Prashant Kumar Gupta,&nbsp;Arun Kumar Mahapatra,&nbsp;Preeti Chouhan,&nbsp;Neha Garg","doi":"10.1186/s43094-025-00917-0","DOIUrl":"10.1186/s43094-025-00917-0","url":null,"abstract":"<div><h3>Background</h3><p>Polycystic ovary syndrome (PCOS) is a prevalent endocrinopathy characterized by excess androgen production and associated metabolic disturbances. Although several synthetic drugs, such as hypoglycemic and ovulation-inducing agents, are used in PCOS management, their clinical outcomes remain limited due to adverse side effects. Therefore, natural compounds offer promising alternatives or adjunct drugs with improved safety and efficacy.</p><h3>Objective and methods</h3><p>This study evaluated phytochemicals from <i>Anethum graveolens (dill)</i> for potential therapeutic activity against PCOS using an integrative computational strategy. PCOS-related targets were identified through DiseaseNet and GeneCards, followed by protein–protein interaction (PPI) analysis via STRING and hub gene selection with CytoHubba. Lead compounds were assessed through molecular docking, density functional theory (DFT) calculations, and to confirm the stability of the compound–target interactions, we performed molecular dynamics (MD) simulations (100 ns).</p><h3>Results</h3><p>The selected phytochemicals demonstrated favorable drug-likeness properties. DFT analysis revealed strong reactivity of carvacrol, eugenol, geraniol, and thymol, indicated by low energy gaps. Docking studies showed that these compounds exhibited stronger binding affinities with key PCOS targets compared to the control drug metformin. MD simulations further confirmed the stable interaction of these compounds with PCOS-associated proteins, including MMP9, AR, ALB, and PPAR-α.</p><h3>Conclusion</h3><p>Carvacrol, eugenol, geraniol, and thymol exhibited strong binding affinities, favorable drug-likeness profiles, and stable interactions with PCOS-associated receptors, highlighting their potential as multi-target therapeutic candidates for PCOS management.</p></div>","PeriodicalId":577,"journal":{"name":"Future Journal of Pharmaceutical Sciences","volume":"11 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43094-025-00917-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145674894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}