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Association of immunomodulatory therapies with COVID-19 mortality in rheumatoid arthritis: An analysis of the FDA adverse event reporting system 类风湿关节炎患者的免疫调节疗法与 COVID-19 死亡率之间的关系:对 FDA 不良事件报告系统的分析
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2024.05.003
{"title":"Association of immunomodulatory therapies with COVID-19 mortality in rheumatoid arthritis: An analysis of the FDA adverse event reporting system","authors":"","doi":"10.1016/j.ipha.2024.05.003","DOIUrl":"10.1016/j.ipha.2024.05.003","url":null,"abstract":"<div><h3>Background</h3><p>The COVID-19 pandemic significantly affects patients with RA and other rheumatic diseases. Our study aims to explore the factors associated with COVID-19-related fatality among Rheumatoid Arthritis (RA) patients, especially immunomodulatory therapies, using the international Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS).</p></div><div><h3>Methods</h3><p>Reportes from FAERS were extracted from February 2020 to September 2022, and uesd for this cross-sectional analysis. The investigative outcome was COVID-19-related death. Age, sex, region, event date, and immunomodulatory medications classies were included as co-variates in multivariable logistic regression. In view of the different targeting and affinity of individual JAKi, Tofacitinib, Upadacitinib and Baricitinib was respectively analyzed.</p></div><div><h3>Results</h3><p>In all, 3808 cases (mean age 58.85 years, 82.8% female), 267 (7.0%) died. JAKi therapies (41.2%), followed by TNFi (37.7%), IL-1i (12.2%), IL-6i (4.1%) and Anti-CD20 (3%) were reported. Risk factors associated with COVID-19-related death in RA patients were age (odds ratio [OR]: 1.06; 95% confidence interval [CI]: 1.05–1.08; <em>p</em> ​&lt; ​0.01), male sex (1.71, 1.26–2.33; <em>p</em> ​= ​0.01) and anti-CD20 therapies (5.05; 1.40–18.19; <em>p</em> ​= ​0.013). With TNFi conference, anti-CD20 was still a risk predictor (4.29; 2.39–7.70; <em>p</em> ​&lt; ​0.01). Other DMARDs except for anti-CD20, did not confer a significant association with mortality, compared with csDMARDs or TNFi. Individual JAKi showed no obvious difference in the risk of death, compared with csDMARDs or TNFis.</p></div><div><h3>Conclusions</h3><p>Conclusions Using FAERS open access data for risk prediction of death, anti-CD20 therapies were recognized as a risk factor for COVID-19-related fatalities among RA patients, other immunomodulatory therapies were not associated with mortality, compared with csDMARDs or TNFis.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 451-455"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X2400056X/pdfft?md5=6bd80a6185e4a935d2ab2cce768c6ee4&pid=1-s2.0-S2949866X2400056X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141047696","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}
引用次数: 0
Telmisartan-loaded liposomes: An innovative weapon against breast cancer 替米沙坦脂质体:抗击乳腺癌的创新武器
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2024.01.001
{"title":"Telmisartan-loaded liposomes: An innovative weapon against breast cancer","authors":"","doi":"10.1016/j.ipha.2024.01.001","DOIUrl":"10.1016/j.ipha.2024.01.001","url":null,"abstract":"<div><p>This study focuses on the development of a liposomal preparation for the targeted delivery of Telmisartan in the context of breast cancer treatment. Telmisartan, a pharmaceutical agent with potential anticancer properties, has been encapsulated within liposomes, lipid-based vesicles known for their capacity to enhance drug delivery and improve therapeutic outcomes. The formulation and characterization of Telmisartan-loaded liposomes were conducted, evaluating factors such as size, shape, and drug release profiles. The findings demonstrate that the liposomal preparation effectively encapsulates Telmisartan, maintaining its pharmacological properties. The development of such liposomal formulations holds promise for advancing breast cancer therapies, offering the potential for enhanced treatment efficacy and reduced side effects. This research contributes to the ongoing efforts to explore innovative drug delivery strategies in the realm of breast cancer treatment. Breast cancer is a pervasive and challenging malignancy affecting women worldwide. In the quest for more effective and targeted treatment approaches, the development of liposomal preparations for delivering therapeutic agents to breast cancer cells has emerged as a promising avenue. Telmisartan, originally recognized for its antihypertensive properties, has been increasingly investigated for its potential anticancer effects. This study delves into the design and evaluation of a liposomal formulation for Telmisartan, aiming to enhance its therapeutic potential in breast cancer. The formulation process involved the encapsulation of Telmisartan within lipid-based liposomes, which are well-known for their ability to carry a variety of drugs, protect them from degradation, and enhance their selective delivery to tumor cells.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 565-570"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X24000017/pdfft?md5=1596786390e538b379ae6753631be0ac&pid=1-s2.0-S2949866X24000017-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139539568","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}
引用次数: 0
Acalypha wilkesiana L - A potential anti-stearoyl-CoA desaturase agent: Insilico and network pharmacology studies Acalypha wilkesiana L - 一种潜在的抗硬脂酰-CoA 去饱和酶制剂:内部和网络药理学研究
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2023.12.007
{"title":"Acalypha wilkesiana L - A potential anti-stearoyl-CoA desaturase agent: Insilico and network pharmacology studies","authors":"","doi":"10.1016/j.ipha.2023.12.007","DOIUrl":"10.1016/j.ipha.2023.12.007","url":null,"abstract":"<div><p>The activity of Seborrheic dermatitis on the skin of children still remains of the dermatoses of male and female babies in the early days of their existence. <em>Acalypha wilkesiana</em> L have been employed by mothers to combat Seborrheic dermatitis, yet, the descriptors responsible for such activity as well as the nonbonding interactions between the selected phytochemicals and stearoyl-CoA desaturase has not been explored. The studied compounds were optimized using Spartan’14 software as well as molecular operating environments (MOE) for docking, Cytoscape software for compound-protein interaction network, Gromacs for molecular dynamic simulation as well ADMETSar for pharmacokinetics studies. The selected compounds proved to have anti-stearoyl-CoA desaturase properties via the calculated descriptors obtained from the chemical compounds obtained from <em>Acalypha wilkesiana</em> L as well as from the result from molecular modeling studies. The Pharmacokinetics results were observed and reported appropriately.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 540-553"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001338/pdfft?md5=bf21b043b1b223a595481f0223babd84&pid=1-s2.0-S2949866X23001338-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139191506","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}
引用次数: 0
Advancing oral drug delivery: The science of fast dissolving tablets (FDTs) 推进口服给药:快速溶解片剂(FDT)的科学原理
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2024.01.011
{"title":"Advancing oral drug delivery: The science of fast dissolving tablets (FDTs)","authors":"","doi":"10.1016/j.ipha.2024.01.011","DOIUrl":"10.1016/j.ipha.2024.01.011","url":null,"abstract":"<div><p>The field of oral drug delivery has witnessed significant advancements, with a focus on developing innovative formulations to address challenges associated with traditional dosage forms, especially for patients with difficulties in swallowing. Fast Dissolving Tablets (FDTs) have emerged as a promising class of tablets designed to rapidly disintegrate or dissolve in saliva, providing a convenient and patient-friendly alternative for various populations.</p><p>This article explores the unique properties, advantages, and potential applications of FDTs, emphasizing their role in overcoming challenges posed by conventional oral drug delivery systems. FDTs offer rapid dissolution within 15-120 seconds in the buccal cavity, facilitating direct absorption through the buccal mucosa and ensuring quick therapeutic effects. This characteristic proves particularly beneficial for individuals facing swallowing challenges, such as pediatric and geriatric patients, or those with conditions like dysphagia.</p><p>Recognizing the significance of FDTs, the European Pharmacopoeia (EP) has officially recognized them as “oral dissolving tablets,\" highlighting their acceptance in both academic and industrial settings. The article delves into the anatomical and physiological characteristics of the oral cavity, shedding light on the buccal epithelium, oral mucosa vascularization, and salivary flow, which play crucial roles in drug absorption.</p><p>The ideal features of FDTs include rapid dissolution or disintegration, high drug load capacity, masking of bitter taste, positive mouth feel, ease of transport, and reduced sensitivity to environmental factors. The advantages of FDTs extend to their administration for patients unable to swallow, convenient treatment for bedridden and mobile patients, enhanced mouth feel and taste masking, ease of administration, and precise dosing.</p><p>Despite their advantages, FDTs come with limitations, including issues related to mechanical strength, hygroscopic nature, brittleness, and challenges with bitter drugs or unpleasant odors. Overcoming these challenges requires a careful formulation approach to balance rapid disintegration with mechanical strength and taste masking.</p><p>The article also discusses the salient characteristics of Fast Dissolving Dosage Forms (FDDDS) and various techniques for preparing FDTs, such as freeze-drying, tablet molding, and spray drying. Additionally, it explores the role of non-invasive drug delivery systems in addressing pharmaceutical industry needs, including improving drug half-life, solubility/stability, and bioavailability.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 580-587"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X24000212/pdfft?md5=e5cec6d258d3bad65a1e92c82c1b4b2c&pid=1-s2.0-S2949866X24000212-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139874102","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}
引用次数: 0
Nutritional composition, antioxidant properties, and molecular docking strategy of muricidae operculum (Chicoreus ramosus) 鼠厣的营养成分、抗氧化性和分子对接策略
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2023.11.006
{"title":"Nutritional composition, antioxidant properties, and molecular docking strategy of muricidae operculum (Chicoreus ramosus)","authors":"","doi":"10.1016/j.ipha.2023.11.006","DOIUrl":"10.1016/j.ipha.2023.11.006","url":null,"abstract":"<div><p>The murrcidae gastropod operculum has many therapeutic uses in ayurveda, including treating cancer, gastric, hepatic, cardiovascular, and immunological disorders. Antibacterial, cell reinforcement, FTIR, and mass spectrum datas were used to identify important functional groups and chemical constituents in <em>Chicoreus ramosus</em> operculum concentrate. At 100 ​mg/L, the operculum extract showed stronger inhibitory movement (125 ​mm) against <em>Bacillus subtilis</em> and less (08 ​mm) against <em>Staphylococcus aureus</em>. Operculum extract's biochemical composition, total antioxidant properties, protein denaturation, metal chelation movement, all-out cell reinforcement action, and anti-diabetic action were 85.71%, 80.98%, 32.03%, and 76.47% at 1000 ​μg/mL concentration. The operculum remove FTIR showed nine significant groups, including amines, esters, and fragrant mixtures. 11 dynamic mixtures from GC–MS analysis of operculum rough concentrate. These bioactive fractions interacted with IL 23 in molecular docking experiments. Androst-1-en-3-one, Bis (2-ethylhexyl) phthalate, and 3-Methoxy-2,4,5-trifluorobenzoic acid had the highest docking scores and target protein receptor interactions. −11.9 ​kcal/mol, −08.6 ​kcal/mol and −7.7 ​kcal/mol are the maximum scores. These compounds are therapeutic and antimicrobial. These bioactive compounds in operculum extracts allow <em>C. ramosus</em> to be used in conventional medicine and may lead to the development of new drugs.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 485-494"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X2300120X/pdfft?md5=f6d95fc4786d937e192d5d0daebbc96f&pid=1-s2.0-S2949866X2300120X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139015034","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}
引用次数: 0
In-silico design of novel 2-((4-chloro-6-methoxy-1H-indol-3-yl)thio)-N-(2-ethoxyphenyl)acetamide derivatives as potential inhibitors of influenza neuraminidase protein receptor 作为流感神经氨酸酶蛋白受体潜在抑制剂的新型 2-((4-氯-6-甲氧基-1H-吲哚-3-基)硫)-N-(2-乙氧基苯基)乙酰胺衍生物的硅内设计
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2023.12.002
{"title":"In-silico design of novel 2-((4-chloro-6-methoxy-1H-indol-3-yl)thio)-N-(2-ethoxyphenyl)acetamide derivatives as potential inhibitors of influenza neuraminidase protein receptor","authors":"","doi":"10.1016/j.ipha.2023.12.002","DOIUrl":"10.1016/j.ipha.2023.12.002","url":null,"abstract":"<div><p>Influenza virus transmission is largely mediated by its mutation and genome reassortment from distinct strains resulting in drug-resistances and pandemics. This necessitates the need for the discovery of more potential influenza inhibitors to prevent future epidemics. An in-silico approach was utilized here to design six new (21a-f) potential inhibitors of influenza neuraminidase (NA) using a hit compound 21 with good binding affinity, predicted activity, and pharmacokinetic properties in our previous work. The modeled activities (pEC<sub>50</sub>) of the newly designed compounds (ranging between 8.188 and 7.600) were better than that of the hit compound 21 with predicted activity (pEC<sub>50</sub>) of 6.0101 and zanamivir (pEC<sub>50</sub> of 5.6755) as the standard reference control used. The MolDock scores (ranging between −189.67 and −142.47 ​kcal/mol) of these newly designed compounds in the NA binding cavity were also better than the hit template 21 with a MolDock score of −125.33 ​kcal/mol and zanamivir standard drug (−136.36 ​kcal/mol). In addition, the conformational stability of the best-designed compound 21a in the NA binding cavity was further studied through the MD simulation of 100 ​ns. Moreover, the drug-likeness and ADMET predictions of these designed compounds showed their good oral bioavailability and pharmacokinetic profiling respectively. More so, the DFT calculations also revealed the relevance of these designed compounds in view of their smaller band energy gaps from the frontier molecular orbital calculations. This study could serve as a reliable <em>in-silico</em> perspective for the search and discovery of potential anti-influenza agents.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 495-504"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001284/pdfft?md5=c3355e9a6bb307bb005e961b37faaa63&pid=1-s2.0-S2949866X23001284-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138988799","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}
引用次数: 0
In-silico screening and ADMET evaluation of therapeutic MAO-B inhibitors against Parkinson disease 针对帕金森病的治疗性 MAO-B 抑制剂的硅内筛选和 ADMET 评估
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2023.12.008
{"title":"In-silico screening and ADMET evaluation of therapeutic MAO-B inhibitors against Parkinson disease","authors":"","doi":"10.1016/j.ipha.2023.12.008","DOIUrl":"10.1016/j.ipha.2023.12.008","url":null,"abstract":"<div><p>MAOs are flavoenzymes that aid in the oxidative deamination of neurotransmitters such as dopamine, serotonin, and epinephrine. MAO inhibitors are antidepressants that act by inhibiting neurotransmitter breakdown in the brain and controlling mood. MAO inhibitors with the chlorophenyl-chromone-carboxamide structure have been shown in investigations to be extremely effective. The current study employs <em>in-silico</em> screening, MD simulation, and drug kinetics evaluation, all of which are evaluated using different criteria. The study comprised 37 ligands, and three stood out as the best, with greater binding scores above the threshold value. Docking analysis found that compound 34 had the highest docking score in the series (−13.60 ​kcal/mol) and interacted with the important amino acids TYR 435, CYS 397, CYS 172, PHE 343, TYR 398, and LYS 296 required for MAO inhibitory activity. The ADMET study revealed that the compounds had drug-like properties. The results of this study could be used to develop chromone drugs that target the MAO inhibitor. The top three ligands with the highest force and work were then simulated using molecular dynamics. The protein-ligand complexes had steady trajectories throughout the 100 ns simulation, according to the data. Furthermore, the drug likeliness predicted by ADMET analysis findings indicated that the top three lead compounds had strong inhibitory efficiency, superior pharmacokinetics, and were non-toxic under physiological settings. As a result, these compounds have the potential to be exploited as possible treatment medications for PD.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 554-564"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X2300134X/pdfft?md5=b88f1e7421fb148fee5525b30af7fc14&pid=1-s2.0-S2949866X2300134X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139195474","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}
引用次数: 0
Antimicrobial screening and molecular docking of synthesized 4,6-di(1H-indol-3-yl)-1,6-dihydropyrimidin-2-amine 合成的 4,6-二(1H-吲哚-3-基)-1,6-二氢嘧啶-2-胺的抗菌筛选和分子对接
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2024.01.002
{"title":"Antimicrobial screening and molecular docking of synthesized 4,6-di(1H-indol-3-yl)-1,6-dihydropyrimidin-2-amine","authors":"","doi":"10.1016/j.ipha.2024.01.002","DOIUrl":"10.1016/j.ipha.2024.01.002","url":null,"abstract":"<div><p>A variety of medicinal compounds, including 4,6-di(1H-indol-3-yl)-1,6-dihydropyrimidin-2-amine, were synthesized through a single-step, multicomponent, stepwise reaction. In this reaction, a mixture of 1H-indole-3-Carbaldehyde, 1-(1H-indol-3-yl) ethanone and guanidine nitrate in ethanol was refluxed. The synthesized compounds were characterized using <sup>1</sup>H NMR and <sup>13</sup>C NMR studies and their antimicrobial activities against <em>Escherichia coli, Staphylococcus aureus, Aspergillus niger</em> and <em>Aspergillus flavus</em> were evaluated. Molecular docking analysis revealed specific amino acid residues (LEU704, GLY708, LEU707, GLN711, MET749, PHE764, VAL746, MET787, MET745, LEU873, HIS874, VA; 903, MET742, ILE898, MET895, ILE899, TRP741, THR877, P HE 876, LEU701, MET780) are involved in the interaction between androgen receptor and ligand. The optimal interaction and docking score were observed (7.0 ​kcal/mol).</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 571-577"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X24000029/pdfft?md5=c195c01359cdcf0d88ff908c9732fa77&pid=1-s2.0-S2949866X24000029-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139631755","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}
引用次数: 0
Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation 迷迭香酸:针对登革热病毒的潜在抗病毒剂--硅学评估
Intelligent Pharmacy Pub Date : 2024-08-01 DOI: 10.1016/j.ipha.2023.12.006
{"title":"Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation","authors":"","doi":"10.1016/j.ipha.2023.12.006","DOIUrl":"10.1016/j.ipha.2023.12.006","url":null,"abstract":"<div><p>A number of dengue viruses can seriously impact public health, and their spread has long been a concern. The development and administration of antiviral drugs have played a crucial role in combating viral infections in recent years. These drugs have shown that they can effectively inhibit viral replication and alleviate associated viral complications. The aim of this article is to provide an overview of current evidence on the effectiveness of administered antiviral drugs in controlling viral replication and treating viral problems. In the present study, the PyRx tool was used to docked proteins and ligands. In summary, the present study shows that rosmarinic acid has remarkable docking values against various dengue viral targets. Specifically, it shows a docking value of −8.0 for DENV1-E111, -8.1 for the RNA-dependent RNA polymerase (NS5), −8.2 for the non-structural A chain protein 1 (NS1), and −8.6 for the RNA helicase. These results suggest that rosmarinic acid may have an antiviral effect against the virus's target proteins. Further research is needed to investigate the therapeutic effects of rosmarinic acid in fighting viral infections. In addition, many enzymatic activities of rosmarinic acid have been reported by the PASS (Prediction of Activity Spectra for Substances) tool. The present investigation led to the definitive conclusion that rosmarinic acid possesses remarkable antiviral properties. The present study is promising for future applications, particularly in the search for a drug molecule that can effectively combat a variety of viral infections.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 528-539"},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001326/pdfft?md5=8650c7f8b57320cf82e302dfab474ce1&pid=1-s2.0-S2949866X23001326-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139190100","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}
引用次数: 0
Revolutionizing of bioactive natural products in prostate cancer research and care: Promising discoveries and future directions 生物活性天然产品在前列腺癌研究和治疗中的革命性应用:有希望的发现和未来方向
Intelligent Pharmacy Pub Date : 2024-07-02 DOI: 10.1016/j.ipha.2024.07.001
Konatham Teja Kumar Reddy , Karthickeyan Krishnan , Palani Shanmugasundaram , C. Ronald Darwin , Balaji Pandian , Saravanan Govindaraj , Priyanga Jaganath , Sridevi Ganesan
{"title":"Revolutionizing of bioactive natural products in prostate cancer research and care: Promising discoveries and future directions","authors":"Konatham Teja Kumar Reddy ,&nbsp;Karthickeyan Krishnan ,&nbsp;Palani Shanmugasundaram ,&nbsp;C. Ronald Darwin ,&nbsp;Balaji Pandian ,&nbsp;Saravanan Govindaraj ,&nbsp;Priyanga Jaganath ,&nbsp;Sridevi Ganesan","doi":"10.1016/j.ipha.2024.07.001","DOIUrl":"10.1016/j.ipha.2024.07.001","url":null,"abstract":"<div><div>Globally, prostate cancer (PCa) is one of the most common cancers to strike men. Diet and lifestyle appear to have a significant impact on PCa biology and carcinogenesis. PCa is the major reason of death by cancer in men. Anti-PCa qualities like growth of tumor inhibition, induction of cell death, and angiogenesis and metastasis inhibition have all been studied in depth. Phytochemicals have been demonstrated to target androgen receptor (AR) signaling as well as PCa stem cells in a selection of investigations. Marine compounds have shown potential in the treatment of PCa. It is discussed in this article, some of the most promising bioactive natural and marine compounds for PCa prevention and treatment, as well as their specific methods of action. An emphasis on specific medicine is one of the future directions in the revolutionization of bioactive natural ingredients for PCa research and therapy. Advances in nanotechnology can enhance the bioavailability and specificity of bioactive substances for cancer cells, maximizing their therapeutic potential and enhancing patient treatment. Bioactive natural compounds represent an innovative field in the study and treatment of PCa. Promising results point to their potential to block cancer pathways and improve on already effective therapeutic approaches. As we advance, modified medicine, nanotechnology, and genomics methods will be fundamental in maximizing the efficacy of these natural substances and ultimately changing the treatment of PCa. But in order to close the gap between exciting findings and therapeutic application, more study, clinical trials, and effective activities are essential.</div></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 6","pages":"Pages 830-845"},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141706308","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}
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