IF 2.1 4区医学

Steroids Pub Date : 2025-04-23 DOI: 10.1016/j.steroids.2025.109618

Carolina Marques Bedolo , Isabella Carolina Cozim , Vitor Grigio , Gabriel Ribeiro Bernussi , Stella Bicalho Silva , Luiz Henrique Alves Guerra , Silvana Gisele Pegorin Campos , Patricia Simone Leite Vilamaior , Ellen Cristina Rivas Leonel , Sebastião Roberto Taboga

{"title":"Dehydroepiandrosterone sulphate (DHEAS) supplementation impacts adrenal cortex morphophysiology of aged female gerbils","authors":"Carolina Marques Bedolo , Isabella Carolina Cozim , Vitor Grigio , Gabriel Ribeiro Bernussi , Stella Bicalho Silva , Luiz Henrique Alves Guerra , Silvana Gisele Pegorin Campos , Patricia Simone Leite Vilamaior , Ellen Cristina Rivas Leonel , Sebastião Roberto Taboga","doi":"10.1016/j.steroids.2025.109618","DOIUrl":"10.1016/j.steroids.2025.109618","url":null,"abstract":"<div><div>During the process of aging, it is common for women to take dehydroepiandrosterone sulphate (DHEAS) supplements to prevent adrenopause. However, the potential effects of this supplementation on the adrenal cortex have not yet been fully elucidated. Therefore, the present study aimed to analyze the effects of DHEAS supplementation on the adrenal cortex of female Mongolian gerbils during the aging process. The experiment was conducted by dividing the aged female gerbils (18 months of age) into two groups (n = 5). The control group received no treatment, while the experimental group received 60 mg/kg of DHEAS for 5 weeks. The adrenal glands of both groups were then subjected to morphological, hormonal and immunohistochemistry analyses. The results showed that DHEAS supplementation led to a significant increase in the accumulation of lipofuscin granules in the adrenal cells. Furthermore, decreases in ERα and ERβ and the enzymes CYP17 and 17βHSD, and an increase in the 5α-reductase enzyme in the adrenal cortex were also observed. The results suggest that DHEAS supplementation has a negative feedback effect on the adrenal cortex, affecting its morphophysiology and, consequently, the gland’s functionality. In addition, DHEAS supplementation does not reverse all aspects of the effects of aging on adrenal gland homeostasis.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"218 ","pages":"Article 109618"},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143867803","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}

引用次数: 0

Mendelian randomization studies of testosterone exposure: A systematic review 睾酮暴露的孟德尔随机化研究：系统回顾

IF 2.1 4区医学

Steroids Pub Date : 2025-04-14 DOI: 10.1016/j.steroids.2025.109615

Annika Magdalena Rhomberg-Kauert , Morten Tulstrup , Christoffer Badsted , Henrik Horwitz , Ida M. Heerfordt

{"title":"Mendelian randomization studies of testosterone exposure: A systematic review","authors":"Annika Magdalena Rhomberg-Kauert , Morten Tulstrup , Christoffer Badsted , Henrik Horwitz , Ida M. Heerfordt","doi":"10.1016/j.steroids.2025.109615","DOIUrl":"10.1016/j.steroids.2025.109615","url":null,"abstract":"<div><h3>Background</h3><div>Testosterone impacts reproductive health, cardiovascular function, and metabolism. Considering the use of testosterone therapy and anabolic steroid misuse, understanding its health effects is important. While randomized clinical trials provide short-term insights, and observational studies struggle with confounding factors, Mendelian randomization offers an alternative by using genetic variations to explore causal relationships.</div></div><div><h3>Method</h3><div>A systematic search was performed using MEDLINE to identify studies published from inception to October 2024. We included studies that conducted a Mendelian randomization analysis to evaluate associations between testosterone exposure and any health outcomes in males.</div></div><div><h3>Results</h3><div>Twenty-nine Mendelian randomization studies were included, examining a broad spectrum of health outcomes linked to testosterone exposure. Cardiovascular and metabolic health, alongside prostate cancer risk, were the most frequently studied areas. Most studies indicated that higher testosterone levels were associated with adverse cardiovascular outcomes, such as increased risks of thromboembolism, ischemic heart disease, and heart failure. Elevated levels of genetically predicted free testosterone consistently showed a correlation with increased prostate cancer risk. The relationship between testosterone and type 2 diabetes remained inconclusive. Neuropsychiatric and musculoskeletal outcomes received less attention, while dermatological, infectious, and respiratory health were minimally explored.</div></div><div><h3>Conclusion</h3><div>This review provides information about the causal relationships between testosterone exposure and health outcomes, contributing to the ongoing discourse on testosterone-related health risks and benefits. The included studies exhibit great heterogeneity.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"218 ","pages":"Article 109615"},"PeriodicalIF":2.1,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834813","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}

引用次数: 0

Synthesis, NMR and X-ray characterization of dibenzoannulated dimeric steroid spiroketals. Evaluation of cytotoxicity and anti-inflammatory activity 二苯并环二聚体甾体螺旋酮的合成、核磁共振和x射线表征。细胞毒性和抗炎活性的评价

IF 2.1 4区医学

Steroids Pub Date : 2025-04-13 DOI: 10.1016/j.steroids.2025.109614

Rsuini U. Gutiérrez-Aguilar , Juan A. Antolín-González , Nimsi Campos-Xolalpa , Salud Perez-Gutierrez , Marcos Flores-Álamo , Josué Vazquez-Chavez , Martín A. Iglesias-Arteaga

引用次数: 0

Evaluation of the diagnostic value of G protein-coupled estrogen receptor (GPER) in COVID-19 cases at Tokat Province 托卡特省G蛋白偶联雌激素受体（GPER）对COVID-19病例诊断价值的评价

IF 2.1 4区医学

Steroids Pub Date : 2025-04-11 DOI: 10.1016/j.steroids.2025.109605

Figen Guzelgul , Ergul Belge Kurutas

{"title":"Evaluation of the diagnostic value of G protein-coupled estrogen receptor (GPER) in COVID-19 cases at Tokat Province","authors":"Figen Guzelgul , Ergul Belge Kurutas","doi":"10.1016/j.steroids.2025.109605","DOIUrl":"10.1016/j.steroids.2025.109605","url":null,"abstract":"<div><h3>Objective</h3><div>Factors affecting the clinical course of COVID-19, an infectious respiratory disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in humans, are still poorly understood. G protein-coupled estrogen receptor (GPER) is a protein encoded by the GPER gene in humans. GPER is activated by binding to estradiol, a female sex hormone, leading to mediation of estradiol’s rapid cellular effects. In this study, which was conducted for the first time, we aimed to investigate GPER levels and their diagnostic value in COVID-19 patients.</div></div><div><h3>Methods</h3><div>A total of 71 individuals [Female/Male (n = 36/35) range of ages 32 ∼ 62] were enrolled in this study and categorized into three groups: the patient group consisted of individuals diagnosed with COVID-19 and receiving supportive treatment in the intensive care unit (ICU), the mild group consisted of COVID-19 patients who received outpatient treatment, and the control group. Enzyme-linked immunosorbent assay (ELISA) was used to measure serum GPER levels.</div></div><div><h3>Results</h3><div>The general sex distribution of the patients was analyzed, revealing that 35(49.3 %) were male and 36(50.7 %) were female. GPER levels were significantly increased in severe COVID-19 females compared to control and mild course groups (p < 0.05). A GPER cut-off value of 2.95 ng/mL showed diagnostic accuracy in severe COVID-19 cases.</div></div><div><h3>Conclusion</h3><div>This study, conducted for the first time, demonstrates that GPER levels are significantly associated with COVID-19 severity in female patients, suggesting that GPER may serve as a diagnostic marker for the progression of COVID-19.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"218 ","pages":"Article 109605"},"PeriodicalIF":2.1,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823520","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}

引用次数: 0

From root to Recovery: The role of herbs in polycystic ovary syndrome management 从根源到恢复：草药在多囊卵巢综合征治疗中的作用

IF 2.1 4区医学

Steroids Pub Date : 2025-04-08 DOI: 10.1016/j.steroids.2025.109606

Noor-Ul-Ain Zafar , Rahmatullah Qureshi , Ayesha Siddiqa , Syed Azaz Mustafa Naqvi , Fareeha Waheed , Zia-ur-Rehman Mashwani , Amir Ali , Kayley Aileen Hernández Ramírez , Gabriela Medina-Pérez , Armando Pelaez-Acero , Ajaz Ahmad

{"title":"From root to Recovery: The role of herbs in polycystic ovary syndrome management","authors":"Noor-Ul-Ain Zafar , Rahmatullah Qureshi , Ayesha Siddiqa , Syed Azaz Mustafa Naqvi , Fareeha Waheed , Zia-ur-Rehman Mashwani , Amir Ali , Kayley Aileen Hernández Ramírez , Gabriela Medina-Pérez , Armando Pelaez-Acero , Ajaz Ahmad","doi":"10.1016/j.steroids.2025.109606","DOIUrl":"10.1016/j.steroids.2025.109606","url":null,"abstract":"<div><div>Polycystic ovarian syndrome (PCOS) is a prevalent complicated endocrine condition affecting women, caused by both hereditary and environmental factors. It often emerges during the reproductive years (15–35 years) and now affects 1 out of 10 women worldwide. PCOS is distinguished by high androgen levels, particularly testosterone, as well as the appearance of many ovarian cysts (more than 10), which result in anovulation, infertility, and irregular menstrual periods. Furthermore, PCOS is associated with a variety of endocrine and metabolic abnormalities, including obesity, hirsutism, acne, diabetes, insulin resistance, and poor glucose tolerance. PCOS treatment includes allopathic, Ayurvedic, and natural therapies, as well as lifestyle changes. In comparison to allopathic treatments, herbal medicines are recognized for their cost-effectiveness, efficacy, and favourable role in PCOS management/treatment. This literature review briefly examines PCOS diagnosis, symptoms, hormonal imbalance, causes, related risk factors, and management, with a particular emphasis on the role of herbal remedies in PCOS treatment. This review highlights several medicinal plants with potential therapeutic benefits for various health conditions. These herbs have demonstrated efficacy in managing ailments such as hypothyroidism, hyperplasia, obesity, diabetes, menorrhagia, sleep disturbances, cardiovascular disorders, hyperlipidemia, hirsutism, infertility, and irregular menstrual cycles. The information was sourced from PubMed and multiple review articles. Various herbs, whether used individually, in combination, or as extracts, may help reduce risk factors associated with polycystic ovary syndrome (PCOS).</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"218 ","pages":"Article 109606"},"PeriodicalIF":2.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816324","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}

引用次数: 0

Genetic insights into vitamin D deficiency: a case-control study of GC and CYP24A1 gene polymorphism 维生素D缺乏症的遗传学见解：GC和CYP24A1基因多态性的病例对照研究。

IF 2.1 4区医学

Steroids Pub Date : 2025-04-06 DOI: 10.1016/j.steroids.2025.109607

Usama , Aslam Khan , Muhammad Kashif Raza , Khurram Abbas , Lamjed Mansour , Aktar Ali , Muhammad Imran

{"title":"Genetic insights into vitamin D deficiency: a case-control study of GC and CYP24A1 gene polymorphism","authors":"Usama , Aslam Khan , Muhammad Kashif Raza , Khurram Abbas , Lamjed Mansour , Aktar Ali , Muhammad Imran","doi":"10.1016/j.steroids.2025.109607","DOIUrl":"10.1016/j.steroids.2025.109607","url":null,"abstract":"<div><div>Despite the sunny climate, vitamin D deficiency is highly prevalent in several parts of the world. Several risk factors are associated with VD deficiency, including single nucleotide polymorphism and post-translational modifications in its transport protein, known as vitamin D binding protein (DBP) or GC and CYP24A1, a protein associated with its degradation. Our study explores the impact of rs4588 and rs7041 in the GC gene, along with CYP24A1 rs4809960 and rs2585428, on serum vitamin D and the risk of vitamin D insufficiency. This study enrolled 114 healthy controls and 239 vitamin D-deficient subjects. SNPs were determined using polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP). The G/T genotype of D432E and the A/A genotype of T436K in the GC gene were observed to be risk factors for vitamin D deficiency. Overall, a significant (P < 0.05) association was observed between the D432E and T436K polymorphism and vitamin D deficiency. Polymorphic genotypes of CYP24A1 rs4809960 and rs2585428 polymorphisms were significantly associated with a higher risk of Vitamin D deficiency. D432E and T436K polymorphisms were associated with decreased vitamin D and increased PTH levels in vitamin D-deficient individuals. Similarly, both CYP24A1 polymorphisms were significantly associated with a higher risk of vitamin D deficiency. Also, a negative association was observed between sufficient serum levels of 25-hydroxyvitamin D and PTH levels.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"218 ","pages":"Article 109607"},"PeriodicalIF":2.1,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812327","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}

引用次数: 0

Stress responses in blood donors: Oral fluid hormone dynamics and implications for donor support 献血者的应激反应：口服液激素动力学和对献血者支持的影响

IF 2.1 4区医学

Steroids Pub Date : 2025-03-28 DOI: 10.1016/j.steroids.2025.109604

Agata Alterio , Matteo Feltracco , Giovanna Mazzi , Beatrice Rosso , llaria Prosdocimi , Andrea Gambaro

{"title":"Stress responses in blood donors: Oral fluid hormone dynamics and implications for donor support","authors":"Agata Alterio , Matteo Feltracco , Giovanna Mazzi , Beatrice Rosso , llaria Prosdocimi , Andrea Gambaro","doi":"10.1016/j.steroids.2025.109604","DOIUrl":"10.1016/j.steroids.2025.109604","url":null,"abstract":"<div><div>Glucocorticoids (cortisol and cortisone) hormones are potential biomarkers for monitoring physiological stress in humans. These hormones are released into the bloodstream but are also detectable in other biological matrixes such as oral fluid. Oral fluid hormone levels reflect those found in the blood, but oral fluid sampling is quicker and non-invasive, making it a viable alternative matrix for studying stress markers. This study investigates the stress response of blood donors at three different donation moments by analyzing cortisol and cortisone levels in oral fluid samples. To simultaneously detect these analytes, we developed and validated a new highly sensitive method using high-performance liquid chromatography coupled to a triple quadrupole mass spectrometer (HPLC-MS/MS). Glucocorticoid hormones were found in all samples with cortisone exhibiting higher concentrations than cortisol. Statistical results revealed a weakly negative trend over time for both analytes levels, indicating that the most crucial donation moment is upon donors’ arrival. A notable distinction was found in the evolution of the glucocorticoid hormones in different locations, suggesting that different environmental factors influence stress level more than the act of donation itself.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"217 ","pages":"Article 109604"},"PeriodicalIF":2.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143734753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unleashing the pharmacological potential of taste receptors in reproductive processes beyond their gustatory role 释放味觉感受器在生殖过程中超越味觉作用的药理学潜力

IF 2.1 4区医学

Steroids Pub Date : 2025-03-26 DOI: 10.1016/j.steroids.2025.109603

Nourhan Magdy , Noha F. Abdelkader , Hala F. Zaki , Ahmed S. Kamel

{"title":"Unleashing the pharmacological potential of taste receptors in reproductive processes beyond their gustatory role","authors":"Nourhan Magdy , Noha F. Abdelkader , Hala F. Zaki , Ahmed S. Kamel","doi":"10.1016/j.steroids.2025.109603","DOIUrl":"10.1016/j.steroids.2025.109603","url":null,"abstract":"<div><div>Traditionally, taste receptors (TRs) have been understood to reside within the taste buds on the tongue, serving as initiators for different taste perceptions. However, recent research has expanded our understanding, revealing that TRs are found throughout the body and perform a wide range of functions beyond taste perception as non-tasting functions. These receptors, along with their genetic variations, have been linked to various human health conditions. They are activated by an array of substances, including hormones, nutrients, and toxins, indicating their involvement in numerous biological processes. Specifically, in males, TRs are notably present in the testes and epididymis, where they contribute to the hormonal production, spermatogenesis, and sperm maturation. In females, these receptors are found in the ovaries, uterus, and myometrium, playing crucial roles in ovulation, menstrual cycle regulation, and embryo implantation. There are a lot of missed areas regarding TRs research that imposes to fulfill the gaps in the current understanding of their role in reproduction. This review aims to provide a comprehensive overview of the emerging roles of extraoral TRs in reproductive health, highlighting their physiological and pathophysiological significance in various reproductive processes. As well, grabbing the attention towards the release of new pharmacological interventions to manage conception and contraception in male and female was considered.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"217 ","pages":"Article 109603"},"PeriodicalIF":2.1,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143724183","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}

引用次数: 0

BSS-4, a diosgenin analogue, reduces carrageenan-induced paw inflammation in rat 薯蓣皂苷元类似物BSS-4可减轻卡拉胶诱导的大鼠足部炎症。

IF 2.1 4区医学

Steroids Pub Date : 2025-03-22 DOI: 10.1016/j.steroids.2025.109602

Marisol Casimiro-Rosas , Irving Parra , Jesús Sandoval-Ramírez , María A. Fernández Herrera , Yousef Tizabi , Isabel Martínez-García , Liliana Mendieta

{"title":"BSS-4, a diosgenin analogue, reduces carrageenan-induced paw inflammation in rat","authors":"Marisol Casimiro-Rosas , Irving Parra , Jesús Sandoval-Ramírez , María A. Fernández Herrera , Yousef Tizabi , Isabel Martínez-García , Liliana Mendieta","doi":"10.1016/j.steroids.2025.109602","DOIUrl":"10.1016/j.steroids.2025.109602","url":null,"abstract":"<div><div>Inflammation is an adaptive response that ensures the survival of the organism in the face of injuries or trauma primarily via the immune system. However, overactivation of this process can be detrimental to the point of fatality. To overcome this overactivation, immunosuppressant agents such as steroids and non-steroidal anti-inflammatory drugs (NSAIDs) are used. Given the limitations of these drugs, including their side effects, an urgent need for development of potent and safer anti-inflammatory drugs is evident. Diosgenin, a steroidal saponin (a glycoside found in plants) and its analog, BSS-4 are gaining ground in this respect. Our objective in this study was to determine the effectiveness of BSS-4 in an established model of inflammation and provide clues on its mechanism of action. Carrageenan (Carr)-induced paw edema was used to evaluate the effectiveness of two doses of BSS-4 (0.5 and 1 mg/kg administered intraperitoneally) in adult male Wistar rats. Plantar edema was induced by subcutaneous injection of 50 µL of carrageenan (1 %) into the plantar aponeurosis of the right paw. Inflammatory cytokine markers, tumor necrosis factor-alpha (TNF-α), and interleukin-1 beta (IL-1β) were quantified in this paw region using immunohistochemical assays. BSS-4 at 0.5 mg/kg dose, significantly reduced the paw edema up to three hours after administration. Concomitantly, TNF-α and IL-1β immunostaining were significantly reduced. BSS-4 also preserved the tissue architecture as assessed by hematoxylin and eosin (H&E) staining. These results indicate that BSS-4 can impart potent anti-inflammatory effects as well as reductions in TNF-α and IL-1β in an inflammatory rat model.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"217 ","pages":"Article 109602"},"PeriodicalIF":2.1,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143693390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Target-specific high-throughput screening of anti-inflammatory phytosteroids for autoimmune diseases: A molecular docking-dynamics simulation approach 靶向特异性抗炎植物类固醇对自身免疫性疾病的高通量筛选：分子对接动力学模拟方法

IF 2.1 4区医学

Steroids Pub Date : 2025-03-20 DOI: 10.1016/j.steroids.2025.109601

Alaka Sahoo , Sudhir Kumar Paidesetty , Maitreyee Panda

{"title":"Target-specific high-throughput screening of anti-inflammatory phytosteroids for autoimmune diseases: A molecular docking-dynamics simulation approach","authors":"Alaka Sahoo , Sudhir Kumar Paidesetty , Maitreyee Panda","doi":"10.1016/j.steroids.2025.109601","DOIUrl":"10.1016/j.steroids.2025.109601","url":null,"abstract":"<div><div>Without proper pathophysiology and recommended therapy, synthetic steroids are widely used as a first-line option for the management of autoimmune diseases. However, their prolonged use often leads to severe side effects such as osteoporosis, hypertension, cardiovascular, gastrointestinal complications, etc. To search for potential and safer therapeutic options, the present study aims to explore the potency and drug-ability profiles of anti-inflammatory phytosteroids (PSs). In a target-specific approach, we have selected three key molecular targets: glucocorticoid receptor/GR (PDB ID: 4P6W), cyclooxygenase-2/COX2 (PDB ID: 5F1A), and inducible nitric oxide synthase/iNOS (PDB ID: 4NOS) for a docking study of 167) selected PSs. The drug-chemistry profiles (physicochemical, toxicity, pharmacokinetic, drug-ability, etc.) of PSs were also assessed using various bioinformatics and chemoinformatics tools. The above assessment suggested that withaminilide B (PS46) is a lead candidate with higher drug-ability properties. Further, the drug stability and kinetic behaviour of the lead with the GR target ‘GR-withaminilide B’ in comparison with the control drug, ‘GR-triamcinolone acetonide’ docking complex, were studied through molecular dynamics (MD) simulation at 200 nanosecond with free energy calculation (MM/PBSA). Overall findings suggested that PSs exhibit distinct drug-ability profiles based on their functional attachments with a steroidal core moiety, where withaminilide B is a lead PSs among all to be used as alternative/ complementary candidates expected with limited adverse effects. Further experimentation is essential before mainstream application, but the study provided a platform to select drug-able candidates with a higher chance of experimental success and accelerate the drug discovery process within limited resources.</div></div>","PeriodicalId":21997,"journal":{"name":"Steroids","volume":"217 ","pages":"Article 109601"},"PeriodicalIF":2.1,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143693394","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}

引用次数: 0

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