Steroids最新文献

{"title":"The Effect of Vitamin D3 supplementation on Flunitrazepam-Induced testicular dysfunction in Wistar rats","authors":"David Tolulope Oluwole ,&nbsp;Aliyah Ochuwa Yakubu ,&nbsp;Oladipupo Samuel Ebiwonjumi ,&nbsp;Lydia Oluwatoyin Ajayi ,&nbsp;Ayodeji Folorunsho Ajayi","doi":"10.1016/j.steroids.2025.109650","DOIUrl":"10.1016/j.steroids.2025.109650","url":null,"abstract":"<div><div>Prolonged flunitrazepam use has been reported to be increasing among young adolescents, and it has been reported to induce hyperprolactinemia, causing gross impairment of testicular function, ultimately resulting in male infertility. Hence, this current study seeks to examine the possible protective potential of the micronutrient Vitamin D3 in mitigating flunitrazepam-induced testicular dysfunction.</div><div>Adult male rats (Wistar strain), weighing 200–220 g, were categorized into four groups: Vehicle [0.3 ml of distilled water and 0.2 ml of olive oil, the respective solvents for flunitrazepam (Fluni) and Vitamin D3 (V.D3)], Fluni [0.35 mg/kg], V.D3 [0.01 mg/kg], and Fluni [0.35 mg/kg] + V.D3 [0.01 mg/kg]; these groups were treated orally for 56 days before the testes and epididymides were removed for biochemical and histological processing.</div><div>Vitamin D3 supplementation significantly prevented hyperprolactinemia and sperm cell damage, reduced testicular lipid peroxidation, and significantly increased serum concentrations of reproductive hormones, testicular steroidogenic enzymes, antioxidants, and improved inflammatory markers. It also improved sperm energy utilization, quality, and transmembrane pump activities, with a marked recovery of the epididymal smooth muscles and testicular interstitial and spermatogonial cells in the flunitrazepam-treated rats.</div><div>This present study shows that Vitamin D3 supplementation prevents impairment of testicular functions and ensures improved sperm function in flunitrazepam-exposed rats. Meanwhile, further molecular studies and clinical trials are encouraged to explore Vitamin D3′s possible intervention in drug-induced male infertility, given the limitations of animal studies.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"221 ","pages":"Article 109650"},"PeriodicalIF":2.1,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144291238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cortisol, testosterone and body composition changes during overwintering at Concordia in Antarctica","authors":"Katia Collomp ,&nbsp;Karine Paret ,&nbsp;Fabrice Prieur ,&nbsp;Nancy Vibarel-Rebot ,&nbsp;Sandrine Schiano-Lomoriello ,&nbsp;Nathalie Rieth ,&nbsp;Maud Miguet ,&nbsp;Aude Villemain","doi":"10.1016/j.steroids.2025.109654","DOIUrl":"10.1016/j.steroids.2025.109654","url":null,"abstract":"<div><div>Concordia in Antarctica is one of the most remote and inhospitable inhabited places on the planet. Overwintering at Concordia presents extreme environmental conditions combining both physiological stress [three-month-long period of polar night (early May to early August) and three-month period of polar day (early November to early February), severe cold, and high-altitude hypoxia] and conditions of isolation and confinement known to induce both physical and cognitive alterations. However, given the very small number of subjects experiencing such conditions, literature remains scarce on the real impact of an overwintering period on steroid hormone changes. Using monthly records, we therefore assessed the impact of an overwintering in 23 male participants on awakening and evening concentrations of cortisol and testosterone, body composition and physical aptitude assessed using a Chester submaximal test. Across overwintering, 10 of the 23 subjects (Group 1) lost more than 2 % of their muscle mass. Awakening and evening concentrations of cortisol and testosterone were preserved throughout wintering with no significant deterioration in physical aptitude. However, Group 1 vs. Group 2 participants had higher end-exercise heart rate and lower testosterone fluctuations between awakening and evening (p &lt; 0.05). These results highlighted the great adaptation of the hypothalamic–pituitary–adrenal and gonadal axis functions to long-term extreme polar exposure. Further studies are needed to determine the mechanisms underlying the alteration in muscle mass occurring in almost half of the winterers, taking into account the subjects’ energy intake and expenditure as well as their initial physical aptitude, in order to propose effective diet and physical activity countermeasures.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"221 ","pages":"Article 109654"},"PeriodicalIF":2.1,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144470352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sarcococca species: A source of bioactive steroidal alkaloids – A review","authors":"Nguyen Manh Ha ,&nbsp;Ninh The Son","doi":"10.1016/j.steroids.2025.109630","DOIUrl":"10.1016/j.steroids.2025.109630","url":null,"abstract":"<div><h3>Background</h3><div><em>Sarcococca</em> species (the family Buxaceae), containing a large number of steroidal alkaloids, were often used as medicinal plants for treating various ailments, such as fever, pain, and inflammation.</div></div><div><h3>Objective</h3><div>The current study aims to highlight the natural observation and pharmacological actions of <em>Sarcococca</em> steroidal alkaloids and related compounds.</div></div><div><h3>Methods</h3><div>Scientific literature of phytochemical studies and pharmacological examinations of <em>Sarcococca</em> species were collected from four main sources: Google Scholar, Web of Science, PubMed, and journal websites. “<em>Sarcococca</em>” and “steroidal alkaloids” were the primary keywords to search for references. The study covers almost all English publications from the 1960 s to the present. ChemDraw Ultra 12.0 was used to draw chemical structures of phytochemicals.</div></div><div><h3>Results</h3><div>Phytochemical results indicated that about 170 secondary metabolites have been detected in <em>Sarcococca</em>, of which 144 compounds (84.7%) can be classified as steroidal alkaloids. Other classes included sterols, triterpenoids, flavonoids, and <em>mono</em>-phenols. <em>Sarcococca</em> crude plant extracts, fractions, and their steroidal alkaloid isolates have pharmacological properties, such as cytotoxic, antimicrobial, antioxidative, antiinflammatory, antileishmanial, antiplasmodial, and antidiabetic activities. They were also recorded to protect against harmful conditions to the neurons, liver, and gastrointestinal system, and exert vasorelaxant, analgesic, estrogen biosynthesis, and nematicidal activities. Some steroidal alkaloids are better than the standard drugs to inhibit acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. Generally, substituted groups at nitrogenous atoms might be attributed to the differences in pharmacological results.</div></div><div><h3>Conclusion</h3><div>Advances in chromatographic isolations of steroidal alkaloids to obtain huge amounts are necessary. <em>In vivo</em> biological experiences and clinical testing are encouraged.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"220 ","pages":"Article 109630"},"PeriodicalIF":2.1,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New secondary metabolites from the soil-derived Aspergillus versicolor QC812","authors":"Jiacheng Weng ,&nbsp;Siqi Li ,&nbsp;Runchao Ma,&nbsp;Qi Shi,&nbsp;Xiongyu Meng,&nbsp;Guifen Zhou,&nbsp;Luping Qin,&nbsp;Huaqiang Li","doi":"10.1016/j.steroids.2025.109629","DOIUrl":"10.1016/j.steroids.2025.109629","url":null,"abstract":"<div><div>A new 18,22-cyclosterol, aspersteroline A (<strong>1</strong>), and a new DMOA-derived meroterpenoid, asperterpene O (<strong>2</strong>), along with three known compounds (<strong>3</strong> − <strong>5</strong>), namely <em>mer</em>-NF8054X (<strong>3</strong>), terretonin D (<strong>4</strong>), and asperterpene J (<strong>5</strong>), were isolated from the soil-derived <em>Aspergillus versicolor</em> QC812. The structures of new compounds were established based on widespread spectrographic methods, mainly including 1D &amp; 2D NMR and HRESIMS analyses, and the absolute configurations were further confirmed by comparison of calculated and experimental electronic circular dichroism (ECD) curves. The cytotoxicity of isolates was evaluated on five human tumor cell lines, <strong>1</strong> and <strong>3</strong> showed moderate cytotoxic activities against HL-60.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"220 ","pages":"Article 109629"},"PeriodicalIF":2.1,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144115649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Acquired 11β-Hydroxylase deficiency in etomidate and (Iso)propoxate abusers: A nascent endocrine condition","authors":"Yee-Ting Cheung ,&nbsp;Choi-Yee Lau ,&nbsp;Jeremiah Sik-Bit Tseung ,&nbsp;Kelvin Yat-Chung Yu ,&nbsp;Hoi-Ning Cheung ,&nbsp;Chi-Chung Shek ,&nbsp;Pak-Lam Sammy Chen ,&nbsp;Yeow-Kuan Chong","doi":"10.1016/j.steroids.2025.109639","DOIUrl":"10.1016/j.steroids.2025.109639","url":null,"abstract":"<div><h3>Background</h3><div>Etomidate, a general anaesthetic, is known to possess inhibitory activity on steroid 11β-hydroxylase at subanaesthetic concentrations. An emerging trend of abuse of etomidate as well as its analogues propoxate/isopropoxate has recently been observed. Their effects on adrenal steroidogenesis as drugs of abuse remain to be elucidated. Steroid excretion patterns of etomidate and propoxate/isopropoxate users were analysed for evidence of disrupted steroidogenesis.</div></div><div><h3>Method</h3><div>This is a retrospective, cross-sectional study. Urine steroid profiling by gas chromatography-mass spectrometry-based method was performed on spot urine specimens positive for etomidate, propoxate/isopropoxate and/or their metabolites by liquid chromatography-tandem mass spectrometry. Results were compared with routine clinical specimens with normal adult (≥ 18 years of age) urine steroid profiles, analysed between 1st January 2022 and 24th June 2024. Additional clinical and biochemical data were retrieved from the electronic patient records for review.</div></div><div><h3>Results</h3><div>Ten male and ten female adult users, aged 18 to 54 years, were included in this study. Their steroid excretion patterns were compared against 377 normal profiles. Hypokalaemia and concomitant drugs of abuse were present in the majority of cases. Psychiatric symptoms were noted in eight out of 20 cases. Multiple metabolites, including tetrahydro-11-deoxycortisol, tetrahydro-deoxycorticosterone and multiple adrenal androgen metabolites, were elevated in etomidate and propoxate/isopropoxate abusers. The pattern indicates 11β-hydroxylase inhibition.</div></div><div><h3>Conclusion</h3><div>11β-hydroxylase inhibition was demonstrated in recreational users of etomidate and/or its analogues, explaining the clinical features of hypokalaemia, and hyperandrogenism in female patients. Misuse of the compounds could be a harbinger of an increasing prevalence of acquired 11β-hydroxylase deficiency.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"220 ","pages":"Article 109639"},"PeriodicalIF":2.1,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ursane hybrids with 5-amino-1,2,3,4-thiatriazole, 1-tetrazole-5-thione, and 1-tetrazole-5-amines and study of their inhibition of main SARS-CoV-2 protease","authors":"Sergey A. Popov ,&nbsp;Elvira E. Shults ,&nbsp;Dmitry S. Baev ,&nbsp;Varvara Yu. Chirkova ,&nbsp;Ekaterina A. Volosnikova ,&nbsp;Svetlana V. Belenkaya ,&nbsp;Dmitry N. Shcherbakov ,&nbsp;Mikhail.A. Pokrovsky ,&nbsp;Mohammad S. Hamad ,&nbsp;Andrey G. Pokrovsky","doi":"10.1016/j.steroids.2025.109638","DOIUrl":"10.1016/j.steroids.2025.109638","url":null,"abstract":"<div><div>A series of new heterocyclic ursane and 28-norursane hybrids − derivatives of 5-amino-1,2,3,4-thiatriazole, 1-tetrazole–5-thione, and 1-tetrazole–5-amines were prepared. Reacting triterpenoids holding <img>N<img>C<img>S groups at different distances from the pentacyclic backbone with hydrazine hydrate resulted in ursane-derived hydrazinecarbothioamides. Subsequent nitrosation afforded terpenoid derivatives of 5-amino-1,2,3,4-thiatriazole. Heterocyclization of amino-thioureas with 3β-acetoxyurs-12-en-28-yl substituent under the action of Hg(OAc)₂-NaN₃ led to hybrids of 1-tetrazole–5-amines. 1-Tetrazole–5-thiones with different positions of heterocycle relative to the triterpene skeleton were prepared by coupling sodium azide with triterpene isothiocyanates. The activity of the new heterocyclic derivatives as inhibitors of 3CLpro of SARS-CoV-2 was investigated. Remarkable inhibition was observed for the 1-tetrazole-5-thione hybrids of triterpenoids. The highest activity among the studied compounds was provided by the combination of a 1-tetrazole-5-thione moiety at the C(28)H₂ group of the ursane frame having a free OH group at the 3-position. Molecular docking assumed the covalent binding of 3CLpro via the formation of a disulfide bond between the thiol groups of the catalytic Cys145 and the tetrazole heterocycle of the new hybrid compounds. The triterpenoid backbone provided multiple external hydrophobic contacts essential for the stability of the complex. The results demonstrate the potential of heterocyclic thione hybrids as non-peptidomimetic covalent inhibitors targeting 3CLpro protease (3-Chymotrypsin-like Protease).</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"220 ","pages":"Article 109638"},"PeriodicalIF":2.1,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Roles of equol and the PI3K/Akt signaling pathway in the cardioprotective effects of enteral daidzein against ischemia–reperfusion injury in isolated rat hearts","authors":"Mariko Yamada ,&nbsp;Keisuke Omiya ,&nbsp;Yosuke Nakadate ,&nbsp;Takeshi Oguchi ,&nbsp;Masako Abe ,&nbsp;Akiko Kawakami ,&nbsp;Takashi Matsukawa","doi":"10.1016/j.steroids.2025.109637","DOIUrl":"10.1016/j.steroids.2025.109637","url":null,"abstract":"<div><h3>Purpose</h3><div>Daidzein, a soy-derived phytoestrogen, administered directly in the heart does not show cardioprotective effects against myocardial ischemia–reperfusion (IR) in isolated rat hearts. This study aimed to investigate whether cardioprotective effects of enteral daidzein against myocardial IR are promoted by equol, a metabolite of daidzein, through phosphatidylinositol 3-kinase/protein kinase B (PI3K/Akt) signaling pathway.</div></div><div><h3>Methods</h3><div>Two experiments involving the Langendorff system were performed. During experiment 1, rats were divided into: daidzein group received 100 mg/kg of daidzein and control group received saline enterally 24 h before heart excision. After the rats were euthanized, blood samples were obtained to measure equol levels. Hearts were perfused with modified Krebs-Henseleit (KH) buffer before and after no-flow ischemia. During experiment 2, rats were divided into daidzein + WT (wortmannin) and control + WT groups, where daidzein (100 mg/kg) or saline (control + WT) was administered enterally 24 h before heart excision. To assess the role of the PI3K/Akt signaling pathway, an inhibitor of PI3K (wortmannin) was administered before and after no-flow ischemia in both groups. The primary outcome was the maximum left ventricular pressure derivative (LV dP/dt max) after reperfusion.</div></div><div><h3>Results</h3><div>LV dP/dt max values of the daidzein group at 10, 15, and 20 min after reperfusion were significantly higher than those of the control group (<em>P</em> &lt; 0.05). This effect was diminished by wortmannin. Enteral daidzein significantly increased serum equol levels (daidzein group: 541.5 ± 330.8 nmol/L; control group: 140.6 ± 43.3 nmol/L; <em>P</em> = 0.0043).</div></div><div><h3>Conclusion</h3><div>Enteral daidzein exhibited cardioprotective effects via PI3K/Akt signaling pathway activation, probably induced by increased serum equol level.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"220 ","pages":"Article 109637"},"PeriodicalIF":2.1,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144125250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of dexamethasone on biological properties and metabolic adaptations of normal prostate epithelial cells under mild serum conditions","authors":"Weronika Broszkiewicz,&nbsp;Jakub Beda,&nbsp;Kamila Domińska","doi":"10.1016/j.steroids.2025.109625","DOIUrl":"10.1016/j.steroids.2025.109625","url":null,"abstract":"<div><div>Limiting serum concentration in culture medium constitutes an environmental stress that disrupts cellular homeostasis and activates adaptive metabolism. This study aims to examine the impact of dexamethasone (DEX) on biological properties (e.g. viability, adhesion, migration) and glucose and lipid metabolism of prostate epithelial cells under stress conditions. The study used a non-tumorigenic human prostate cell line, PNT1A. In mild serum deprivation conditions, DEX, commonly used in the treatment of castration-resistant prostate cancer, also arrests normal prostate cells in the G0/G1 phase. Observed reduction in metabolic activity and limiting apoptosis of PNT1A cells as related to decreased expression of the NF-κB family and <em>FOXO3</em> genes. Moreover, DEX modulated PNT1A migration by regulating cell plasticity thought capacity of adhesion to ECM proteins such as fibronectin and collagen I and IV. This was associated with changes in mRNA levels for the genes <em>VIM</em>, <em>ZEB1</em> and <em>ZEB2</em>. Finally, it seems that dexamethasone helps PNT1A cells adapt to stress and enhance antioxidant defense, possibly by reprogramming lipid metabolism (e.g., <em>LDLR</em>, <em>CPT1</em>, <em>MGLL</em>), but not necessarily glucose metabolism.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"219 ","pages":"Article 109625"},"PeriodicalIF":2.1,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Palladium-catalyzed cross-coupling reactions of estrone","authors":"Peter Langer","doi":"10.1016/j.steroids.2025.109627","DOIUrl":"10.1016/j.steroids.2025.109627","url":null,"abstract":"<div><div>Palladium catalyzed cross-coupling reactions of estrone allow for the synthesis of a variety of substituted steroids which are not readily available by other methods. Products include various alkynylated and arylated estrones and 13α-estrones, 16-arylmethylidene-3-<em>O</em>-methylestrones and 16-alkynylmethylidene-3-<em>O</em>-methylestrones. Reactions usually proceed with excellent chemo- and regioselectivity and exhibit a broad functional group tolerance. In several cases, the estrone derivatives prepared proved to be active and selective inhibitors of alkaline phosphatases or exhibited considerable antiproliferative activities.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"219 ","pages":"Article 109627"},"PeriodicalIF":2.1,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In silico analysis of Moringaceae derived potential drug-like compounds against Newcastle disease virus","authors":"Muhammad Hammad Mustafa ,&nbsp;Fayyaz-ur Rehman ,&nbsp;Muhammad Ali ,&nbsp;Mohsin Javed ,&nbsp;Nazir Ahmad ,&nbsp;Tayyaba Shafique ,&nbsp;Ammar Zidan ,&nbsp;Ali Bahadur ,&nbsp;Shahid Iqbal ,&nbsp;Sajid Mahmood ,&nbsp;Abd-ElAziem Farouk ,&nbsp;Ibrahim Jafri","doi":"10.1016/j.steroids.2025.109628","DOIUrl":"10.1016/j.steroids.2025.109628","url":null,"abstract":"<div><div>Newcastle disease virus (NDV) classified in the <em>Avian avulavirus 1</em> [genus <em>Orthoavulavirus</em>, subfamily <em>Avulavirinae</em>, family <em>Paramyxoviridae</em>] constitutes a serious financial risk to the global poultry market. Available vaccines do not show good results in catering to the virus. Currently there is no FDA-approved drug to treat the disease. Nucleoprotein (NP) is a structural protein playing that constitutes a serious financial risk to the global poultry market.a valuable role in the virus replication process and encapsidation. This study is an effort to screen phytochemicals, from the plant family Moringaceae, as potential inhibitors of the N protein. ADMET (adsorption, distribution, metabolism, excretion and toxicity) analysis was performed to screen potential phytochemicals with drug likeliness. Molecular Docking was performed for the binding affinities. Gas Chromatography-Mass Spectrometry (GC–MS) and Density Function Theory (DFT) were performed to evaluate the phytochemicals bioavailability and reactivity, respectively. The stability of protein–ligand complexes was examined by 50 ns MD simulations and MM/PBSA values were calculated. Out of 128 phytochemicals, 22 phytochemicals were selected following ADMET screening. Based on the binding energies and the number of H bonding the following 10 phytochemicals were suggested as potential inhibitors to N protein of NDV – <em>cis</em>-11,14-eicosadienoic acid methyl ester, aurantiamide acetate, α-tocopherol, 4,8,12,16-tetramethylheptadecan-4-olide, 3,7,11,15-tetramethyl-2-hexadecen-1-ol, β-amyrin, β-sitosterol-3-O-β-<span>d</span>-galactopyranoside, α-amyrin, pterygospermin and sitogluside. Furthermore, DFT results showed that the 4 pytochemicals – <em>Cis</em>-11,14-eicosadienoic acid methyl ester, aurantiamide acetate, α-tocopherol, and 3,7,11,15-tetramethyl-2-hexadecen-1-ol were most reactive and thus could be used as potential inhibitors of NDV N protein. Further studies are required to validate the selected four phytochemicals as drug candidates against NDV.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"219 ","pages":"Article 109628"},"PeriodicalIF":2.1,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}