Pharmacological Research - Natural Products最新文献

{"title":"Ethnobotanical insights: Medicinal plants used by the Baiga community in Amarkantak region, Madhya Pradesh","authors":"Ramesh Kumar Ahirwar , Diptesh Kumar Bhoi , Reshma Jangde","doi":"10.1016/j.prenap.2025.100227","DOIUrl":"10.1016/j.prenap.2025.100227","url":null,"abstract":"<div><h3>Ethnopharmacological relevance</h3><div>Medicinal plants have been vital to global healthcare for millennia, valued for their roles in treating and preventing numerous diseases. In the Amarkantak region of Madhya Pradesh, India, the Baiga tribal community continues to depend on these plants, with most members possessing basic knowledge of herbal remedies to address common ailments, such as bloody cough, cold, fever, headaches, poisonous bites, and other minor health issues.</div></div><div><h3>Aim of the Study</h3><div>The study aimed to identify traditional Baiga healers in the Amarkantak region who practice herbal medicine and to thoroughly document their indigenous knowledge regarding the use of common medicinal plants.</div></div><div><h3>Methods</h3><div>Field research was conducted over a year in the Amarkantak region. Ethnomedicinal data were gathered through interviews with Baiga traditional healers and analyzed using methods like use value (UV), informant consensus factor (ICF), fidelity level (FL), relative importance (RI), and Pearson correlation coefficient (PCC).</div></div><div><h3>Results</h3><div>The study identified 77 plant species across 75 genera from 47 families, used by Baiga healers to treat 56 ailments, categorized into 14 groups based on affected body systems. Additionally, 19 newly identified medicinal plant species were proposed for the Amarkantak region. Leaves were the most frequently used plant parts, with most remedies prepared as pastes and administered orally. High ICF values showed strong healer consensus on using plants for treating bloody coagulants and ear pain. The highest use value (1.92) were recorded for ailments like gonorrhea, syphilis, rheumatism, and paralysis, with four plants showing a fidelity level of 100 %. Species with the highest use values included <em>Gloriosa superba</em> (1.92), <em>Aegle marmelos</em> (1.62), <em>Curculigo orchioides</em> (1.38), and <em>Gymnema sylvestre</em> (1.23).</div></div><div><h3>Conclusion</h3><div>This study suggests <em>Gloriosa superba</em>, <em>Aegle marmelos</em>, <em>Curculigo orchioides</em>, <em>Gymnema sylvestre</em>, <em>Lawsonia inermis</em>, <em>Phyllanthus emblica</em>, and <em>Dryopteris cochleata</em> as plants with high medicinal potential based on their UV and RI values. Newly recorded medicinal claims include <em>Annona squamosa</em>, <em>Bacopa monnieri</em>, <em>Bauhinia vahlii</em>, <em>Benincasa hispida</em>, <em>Butea monosperma</em>, <em>Centratherum anthelminticum</em>, <em>Cuscuta reflexa</em>, <em>Cyperus rotundus</em>, <em>Datura stramonium</em>, <em>Eichhornia crassipes</em>, <em>Ficus infectoria</em>, <em>Hyptis suaveolens</em>, <em>Mimosa pudica</em>, <em>Ocimum canum</em>, <em>Phyllanthus emblica</em>, <em>Sida rhombifolia</em>, <em>Sterculia urens</em>, <em>Tamarindus indica</em>, and <em>Terminalia arjuna</em>. Plants such as <em>Annona squamosa</em>, <em>Eichhornia crassipes</em>, <em>Melilotus parviflora</em>, and <em>Ph","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100227"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143799227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the role of traditional remedies, cultural practices, and belief interventions in combating COVID-19 in Dodoma City, Tanzania","authors":"Jackson Henry Katonge","doi":"10.1016/j.prenap.2025.100225","DOIUrl":"10.1016/j.prenap.2025.100225","url":null,"abstract":"<div><div>This research sheds light on the role of cultural practices and traditional remedies in combating COVID-19, addressing the health and socio-economic challenges of the pandemic. It focuses on how local communities used indigenous knowledge, cultural rituals, and traditional medicines. Data was collected through a questionnaire survey among residents, interviews with local healers and pharmacy dispensers, focus group discussions with community elders, and observation, to assess the perceived efficacy, accessibility, and cultural significance of these practices. Additionally, the active compounds, antimicrobial properties, pH, and toxicity levels of traditional remedies were tested using standard laboratory testing methods. The findings indicate that while modern medicine played a critical role in managing the pandemic, many people turned to traditional herbs, steam therapy, and other culturally rooted practices as complementary treatments. Natural immune boosters and traditional medicines produced in Tanzania were seen as effective and accessible for managing symptoms like cough, fever, and respiratory difficulties. All tested traditional medicine brands were deemed safe for consumption. Active compounds found in various remedies were alkaloids (40–54 %), flavonoids (25–35 %), saponins (20–27 %), polyphenols (50 %), and terpenoids (20 %) were found in various remedies, along with specific pH levels and essential oils like limonene, menthol, eucalyptol, and camphor. While these remedies are culturally significant, scientific validation of their safety and effectiveness is needed. Integrating traditional and modern medicine could offer valuable options for advancing healthcare.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100225"},"PeriodicalIF":0.0,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791568","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":"Sorghum bicolor polyphenol-rich supplement ameliorates chronic stress exacerbated hypothalamic-pituitary-testicular axis dysregulation in diabetic rats through suppression of inflammation and apoptosis","authors":"Abayomi M. Ajayi ,&nbsp;Favour O. Igari ,&nbsp;Tolulope E. Akintelu ,&nbsp;Olajuwon Okubena ,&nbsp;Solomon Umukoro","doi":"10.1016/j.prenap.2025.100224","DOIUrl":"10.1016/j.prenap.2025.100224","url":null,"abstract":"<div><div>Diabetes mellitus, characterized by prolonged elevated blood glucose levels, is often associated with dysfunction in the hypothalamic-pituitary-testicular axis. <em>Sorghum bicolor</em> leaf sheath is known for its high antioxidant content and therapeutic benefits. This study investigated the effects of a <em>S. bicolor</em> polyphenol-rich supplement (SBPS) on testicular dysfunction in diabetic rats exposed to chronic unpredictable mild stress (CUMS). Male Wistar rats divided into five groups (n = 7) were fed with high fat diet and injected streptozotocin (35 mg/kg) intraperitoneally. Groups 1 was non-diabetic control, 2 (HFD/STZ), and 3 (HFD/STZ/CUMS) were treated with vehicle. Groups 4–6 (HFD/STZ/CUMS) orally treated for 28 days with SBPS (200 mg/kg), metformin (250 mg/kg) and SBPS+metformin, respectively. Seminal sperm parameters, plasma reproductive hormones, brain hypothalamic and testicular inflammatory, oxidative and apoptosis markers were analysed. Oral administration of SBPS significantly reduced FBS in diabetic rats. Sperm count, plasma and testicular testosterone were significantly increased in diabetic-rats treated with SBPS. Chronic stress-exacerbated increase in diabetic hypothalamic and testicular levels of TNF-α, IL-1β, myeloperoxidase, arginase were significantly decreased in rats treated with SBPS, metformin and SBPS+metformin. Testicular increases in apoptotic markers (caspase-3, caspase-9) and NF-κB, along with reduced Nrf2 levels, were significantly reversed by SBPS, metformin, and their combination. The findings suggest that SBPS ameliorates stress-exacerbated diabetes-induced testicular dysfunction. This is achieved through the suppression of oxidative stress, inflammation, and apoptosis via modulation of Nrf2 and NF-κB pathways. These results highlight the potential of SBPS as a therapeutic agent and its combination with metformin in managing diabetes-related reproductive dysfunction.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100224"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pharmacological evaluation of Tagetes erecta Petals (Aztec Marigold) with special reference to its anti-inflammatory and antioxidant potential","authors":"Hirakjyoti Das,&nbsp;Lakshyajeet Nath","doi":"10.1016/j.prenap.2025.100222","DOIUrl":"10.1016/j.prenap.2025.100222","url":null,"abstract":"<div><div>A complicated biological reaction, inflammation is vital for the occurrence of numerous conditions, especially asthma, atherosclerosis, and rheumatoid arthritis, all of which offer significant challenges for world health. The therapeutic potential of <em>Tagetes erecta</em> (African or Aztec marigold), a plant in the Asteraceae family that used to be known as Genda Phul in India, is the primary concern of this investigation. The key objective aimed to separate and examine the plant’s active phytochemical components, assess its <em>in vitro</em> anti-inflammatory and antioxidant capabilities, and carry out molecular docking and an <em>in silico</em> ADME profile. Its petals also served the purpose to create a novel herbal tea. The phytocomponents of <em>Tagetes erecta</em> were found to number 133 by GC-MS study. Considering <em>in silico</em> docking against inflammatory targets, such as IL-1β, IL-6, TNF-α and iNOS, ten vital components were chosen from among them. Docking scores, binding energies, bond types, and interactions with target amino acids were employed to assess the molecular interactions. The outcomes revealed significant anti-inflammatory activity, highlighting <em>Tagetes erecta’s</em> appropriateness as a source for herbal formulations. This investigation underlines <em>Tagetes erecta’s</em> medicinal value in healing illnesses linked to inflammation. This work improves the advancement of herbal-based medications by clarifying its phytochemical characteristics and molecular mechanisms, which could unlock the door to novel approaches to treatment for inflammatory diseases.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100222"},"PeriodicalIF":0.0,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Plant extracts identified by in vitro high-content screening improve epithelial barrier function and attenuate oxidative and inflammatory stress","authors":"Melanie Wallner ,&nbsp;Verena Stadlbauer ,&nbsp;Bernhard Blank-Landeshammer ,&nbsp;Mara Heckmann ,&nbsp;Nadiia Sadova ,&nbsp;Marcus Iken ,&nbsp;Giovanni Mario Pitari ,&nbsp;Julian Weghuber","doi":"10.1016/j.prenap.2025.100226","DOIUrl":"10.1016/j.prenap.2025.100226","url":null,"abstract":"<div><div>Maintaining intestinal barrier integrity is crucial for gastrointestinal health. Bioactive compounds of plant origin can contribute to prevent barrier dysfunction. In this study, we employed a holistic approach to identify plant extracts with barrier improving properties utilizing a broad range of cell lines, epithelial models and assays targeting barrier protection, antioxidant activity, cytokine response and tight junction regulation. Among the 210 plant extracts screened from an in-house library, 5 % increased the transepithelial electrical resistance in MDCK-II cells. Subsequent validation in Caco-2 cells narrowed the number to 6 potent candidates. Among these, <em>Lamium galebdolon</em>, <em>Anthriscus sylvestris</em> and <em>Asparagus officinalis</em> exhibited the strongest barrier improvement through modulating the expression of CLDN1, CLDN3, OCLN and ZO-1. Furthermore, a combination of selected plant extracts delivered enhanced barrier tightness with clear additive effects exceeding those of the single extracts. Beyond this, the botanical mixture exhibited additive antioxidant, superior anti-inflammatory and barrier protective effects also under stress conditions. In conclusion, a tailored combination of selected plant extracts was identified that could be used in nutraceuticals to support gastrointestinal health.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100226"},"PeriodicalIF":0.0,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"UPLC-PDA-ESI-QDA characterization and evaluation of the antioxidant and anxiolytic activities of the ethanolic extract of Sarcomphalus joazeiro (Mart.) Hauenschild leaves","authors":"Natália Kelly Gomes de Carvalho ,&nbsp;Mariana Pereira da Silva ,&nbsp;Débora Odília Duarte Leite ,&nbsp;Gerson Javier Torres Salazar ,&nbsp;Johnatan Wellisson da Silva Mendes ,&nbsp;Kirley Marques Canuto ,&nbsp;Paulo Riceli Vasconcelos Ribeiro ,&nbsp;Amanda Maria Barros Alves ,&nbsp;Ivana Carneiro Romão ,&nbsp;Hélcio Silva dos Santos ,&nbsp;José Galberto Martins da Costa","doi":"10.1016/j.prenap.2025.100223","DOIUrl":"10.1016/j.prenap.2025.100223","url":null,"abstract":"<div><div>Sarcomphalus joazeiro (Rhamnaceae) demonstrated antioxidant activity and effects on the central nervous system (CNS), being considered an alternative for preclinical investigations of anxiolytic drugs. The aim of this study was to evaluate the chemical composition, antioxidant capacity and anxiolytic effect of the ethanolic extract of the leaves of S. joazeiro (EEFSJ). The chemical profile was analyzed by liquid chromatography coupled to mass spectrometry (UPLC-PDA-ESI-QDA). The antioxidant activity was evaluated using DPPH• and ABTS•⁺ capture assays. Acute toxicity tests for 96 h, open field and light/dark tests were applied in vivo to evaluate the sedative and anxiolytic effects, respectively, using zebrafish of both sexes with n = 6/treatment group, at doses of 40, 200 and 400 mg/kg. A total of 5 groups were formed. For the mechanism of action test, the antagonist flumazenil (FMZ) group was also included in the sample. Eleven compounds from the flavonoid and saponin classes were identified. EEFSJ showed a median inhibitory concentration (IC50) of 185.2 ± 2.2 µg/mL and 74.17 ± 1.5 µg/mL against DPPH• and ABTS•⁺ radicals, respectively. At low doses, EEFSJ may have an anxiolytic effect; however, as the doses increase, the sedative effect becomes predominant and no toxicity was observed after 96 h, and its mechanism of action is related to GABAergic modulation. Thus, it is necessary to evaluate the pharmacological profile of EEFSJ in chronic models of anxiety and oxidative stress, as well as to extend the studies to mammals, exploring potential clinical applications and long-term safety.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100223"},"PeriodicalIF":0.0,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Volatile oils from Olax subscorpioidea Oliv. (Olacaceae): Antioxidant, antibacterial, anticancer activities, and molecular docking","authors":"I.T. Gbadamosi ,&nbsp;A. Agbatutu ,&nbsp;E.O. Yeye ,&nbsp;T.O. Ajibade ,&nbsp;J.A. Badejo ,&nbsp;A.A. Adeyi ,&nbsp;F.A. Adepoju ,&nbsp;A.Y. Momoh ,&nbsp;T.T. Lawal ,&nbsp;D.O. Idowu ,&nbsp;S.A. Ahmed ,&nbsp;A.A. Oyagbemi ,&nbsp;T.O. Omobowale ,&nbsp;A.O. Adeyi ,&nbsp;O.A. Odeku","doi":"10.1016/j.prenap.2025.100221","DOIUrl":"10.1016/j.prenap.2025.100221","url":null,"abstract":"<div><div><em>Olax subscorpioidea</em> is a medicinal plant from Africa, traditionally used for the management of obesity and metabolic syndrome. This study explored the essential oils from its leaves and roots, assessing their chemical composition and biological properties, including antioxidant, antibacterial, and anticancer activities. Essential oils were extracted via hydrodistillation and analyzed by GC-MS. The toxicity of the oils was carried out using brine shrimp lethality assay (BSLA). Antioxidant capacity was evaluated using DPPH, FRAP, and ORAC assays, while antibacterial activity was tested with the agar well diffusion method. The anticancer potential was determined through sulforhodamine B (SRB) assays on the HT-29 cell line, and molecular docking studies were performed using Chimera software. The leaf oil had eleven components, mainly monoterpene hydrocarbons (76.63 %) and oxygenated monoterpenes (15.10 %). The major compounds found in the leaf oil were Azulene (48.79 %), β-pinene (16.24 %) and α-pinene (7.82 %) whereas azulene (100 %) was only component of the root oil.The leaf and root essential oils of <em>O. subscorpioidea</em> were found to be toxic with LC₅₀ of 0.1771 and 92.642 µg/L, where the leaf oil showed higher toxicity compared to the root oil. The leaf oil demonstrated superior antioxidant activity in FRAP and ORAC assays, while the root oil excelled in DPPH radical scavenging. Additionally, the root oil showed stronger antibacterial effects against <em>Escherichia coli</em>, <em>Streptococcus pyogenes</em>, and <em>Proteus mirabilis</em>. In the cell <strong>viability</strong> assays, the root oil exhibited better anticancer effects at 24 h, which diminished over 48 h. Molecular docking revealed favorable binding energies (-6.8 to −7.4 kcal/mol) with selected proteins, indicating potential efficacy of <em>O. subscorpioidea</em> oils. In conclusion, the study highlights the toxicity, antioxidant, antibacterial, and anticancer properties of <em>O. subscorpioidea</em> essential oils, suggesting their therapeutic applications as antioxidant, antibacterial, and anticancer agents.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100221"},"PeriodicalIF":0.0,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of in vitro antioxidant, antidiabetic, anti-inflammatory, and cytotoxicity properties and HPTLC-EDA based phytochemical screening of Macropanax undulatus leaves: An ethnomedicinal plant of Darjeeling Himalayan region","authors":"Ankrita Thapa ,&nbsp;Priya Das ,&nbsp;Tarun Kumar Dua ,&nbsp;Paramita Paul ,&nbsp;Gouranga Nandi ,&nbsp;Sangita Dey ,&nbsp;Anoop Kumar ,&nbsp;Ranabir Sahu","doi":"10.1016/j.prenap.2025.100220","DOIUrl":"10.1016/j.prenap.2025.100220","url":null,"abstract":"<div><div><em>Macropanax undulatus</em>, a plant indigenous to the Eastern Himalayan region has not been studied yet, although the locals claim it to be a valuable medicinal plant. The research focuses on its <em>in vitro</em> pharmacological activities, including antioxidant, antidiabetic, anti-inflammatory, and cytotoxic properties of various extracts from leafy parts. Antioxidant was done by using DPPH, metal chelating, and reducing power assays. α-Amylase and α-glucosidase inhibition assays were used to evaluate antidiabetic potential of the plant extracts. Protein denaturation assay was used to perform anti-inflammatory activity. MTT assay was employed to evaluate the cytotoxicity activity. HPTLC based effected directed analysis (EDA) was used to identify antioxidant and antidiabetic agents. Extracts, other than pet. ether and <em>n</em>-hexane extracts, showed high TPC where all extracts showed better TFC. Methanolic (IC₅₀:77.22 ± 0.53 µg/mL) and hydroalcoholic extracts (IC₅₀:75.94 ± 5.82 µg/mL) were observed to possess prominent antioxidant property. The plant also exhibited significant antidiabetic (hydroalcoholic, IC₅₀: 181.90 ± 15.44 µg/mL), as well as anti-inflammatory properties (aqueous, IC₅₀: 91.96 ± 6.03 µg/mL). Aqueous extract showed highest cytotoxicity properties among the other extracts. Further, the chemical composition of those extracts was evaluated with HPTLC based EDA which revealed the presence of stigmasterol and gallic acid in leaves extracts in qualitative as well as in quantitative manner. These results suggest that <em>M. undulatus</em> may have therapeutic potential for the treatment of oxidative damage, diabetes, anti-cancer and inflammatory illnesses. Presence of gallic acid and stigmasterol may be responsible for the therapeutical properties of the plant.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100220"},"PeriodicalIF":0.0,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unlocking the anti-infective potential of phytoconstituents derived from Euphorbia neriifolia Linn.: Molecular docking, pharmacokinetics, drug-likeliness, and toxicological evaluations","authors":"Md. Jamal Hossain ,&nbsp;Md. Shohel Hossen ,&nbsp;Md Anisur Rahman ,&nbsp;Md. Hosan Khan ,&nbsp;Joy Johon Roy ,&nbsp;Hujjout Ullah ,&nbsp;Kazi Md. Asraful Islam ,&nbsp;Morium Benta Mohasin ,&nbsp;Mst. Monisha Akter Mimi ,&nbsp;Marsia Haque Meghla ,&nbsp;Md. Rejaul Karim Bhuiya ,&nbsp;Utsha Barua ,&nbsp;Mohammad A. Rashid","doi":"10.1016/j.prenap.2025.100219","DOIUrl":"10.1016/j.prenap.2025.100219","url":null,"abstract":"<div><h3>Background and aim</h3><div>Growing resistance to conventional antibiotics has promoted interest in bioactive molecules derived from plants that may have anti-infective effects. <em>Euphorbia neriifolia</em> has long been used for its therapeutic benefits, exhibited potential as a source of antimicrobial natural products. The present research aimed to investigate the molecular interactions of several lead compounds of <em>E. neriifolia</em> focusing on antimicrobial effects, pharmacokinetics and toxicological properties, including their drug-likeliness profiles.</div></div><div><h3>Methods</h3><div>A total of 18 lead compounds of <em>E. neriifolia</em> were retrieved from the literature based on their antimicrobial properties. PyRx, PyMol, and Discovery Studio (v4.5) were used for molecular docking against CTX-M-9 Beta-lactamase, dihydrofolate reductase enzyme, DNA gyrase, and OmpF Porin for antibacterial properties; 3CL protease, RNA dependent RNA polymerase (RdRp), and spike protein for anti-SARS-CoV-2 potential; neuraminidase and hemagglutinin H1 for anti-influenza; old yellow enzyme for antifungal; and HIV-1 reverse transcriptase for anti-HIV activities. Absorption, distribution, metabolism, excretion, and toxicity (ADME/T) with drug likeliness properties were analyzed using pkCSM and Swiss ADME online tools.</div></div><div><h3>Results</h3><div>Among the 18 compounds, rutin and tulipanian exhibited higher binding affinities against most targets than their corresponding standard ligands. Most compounds, including rutin, friedelin, lupenone, beta-amyrin, and tulipanin, showed OmpF Porin protein inhibitory properties. At least 10 compounds, including quercetin, rutin, tulipanin, afzelin, pachypodol, and euphonerin A-D, exhibited higher binding affinities against the fungal old yellow enzyme, revealing promising antifungal properties. Furthermore, most compounds exerted favorable ADME/T properties and showed drug likeliness by obeying the Lipinski rule of five.</div></div><div><h3>Conclusion</h3><div>Based on the current findings, this study offers the possibility of making a natural remedy for treating microbial infections from <em>E. neriifolia</em>. These results can be considered as the groundwork for developing plant-based medicinal compounds and conducting further <em>in silico</em> and experimental validation.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100219"},"PeriodicalIF":0.0,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Potential of Aegle marmelos (L.) Corrêa extracts in the management of breast cancer: Phytochemical profiling and molecular docking studies","authors":"Nehal Rami ,&nbsp;Keyur Bhatt","doi":"10.1016/j.prenap.2025.100218","DOIUrl":"10.1016/j.prenap.2025.100218","url":null,"abstract":"<div><h3>Background</h3><div>Breast cancer is the most prevalent cancer among women and a leading cause of cancer-related fatalities worldwide. Addressing the ongoing challenges of drug resistance, alongside the need for effective, affordable prevention and treatment strategies, is essential for reducing its impact.</div></div><div><h3>Objective</h3><div>This study evaluates the anticancer potential of <em>Aegle marmelos</em> (L.) Corrêa leaf extracts through in vitro assays and in silico molecular studies.</div></div><div><h3>Methods</h3><div>Hexane, methanol, and aqueous extracts of <em>Aegle marmelos</em> (L.) Corrêa leaves were screened for phytochemical composition. Antioxidant potential was assessed using the DPPH assay, while anticancer activity against MCF-7 breast cancer cells was evaluated using the MTT assay. The most potent extract underwent GC-MS and LC-MS analyses to identify bioactive compounds. Selected phytochemicals were subjected to molecular docking studies against Human Estrogen Alpha receptor (PDB ID: 3ERT) and Epidermal Growth Factor Receptor (PDB ID: 2J5F), followed by molecular dynamics simulations to assess complex stability. Toxicity predictions were conducted to evaluate the safety profile of lead compounds.</div></div><div><h3>Results</h3><div>Phytochemical analysis confirmed the presence of bioactive compounds, including flavonoids, phenols, and phytosterols. The methanol extract showed strong antioxidant activity (IC50:31.82 ± 0.46 µg/mL), while the hexane extract demonstrated significant cytotoxicity against MCF-7 cells (IC50:24.27 ± 2.39 µg/mL). GC-MS and LC-MS analyses identified 22 bioactive compounds, among which Caryophyllene oxide emerged as a promising therapeutic candidate due to its strong binding affinity for both Human Estrogen Alpha receptor (PDB ID: 3ERT) and Epidermal Growth Factor Receptor (PDB ID: 2J5F). Molecular dynamics simulations confirmed its stable interactions, and toxicity assessments indicated a favorable safety profile, reinforcing its potential for breast cancer treatment.</div></div><div><h3>Conclusion</h3><div>These findings highlight the potential of <em>Aegle marmelos</em> (L.) Corrêa leaf extracts as a natural anticancer agent, with Caryophyllene oxide emerging as a promising lead compound due to its strong binding affinity, stability, and favorable safety profile. This study provides a foundation for further preclinical and clinical investigations to explore its therapeutic potential for breast cancer treatment.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100218"},"PeriodicalIF":0.0,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}