Current pharmaceutical design最新文献

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Screening of Natural Compounds as Inhibitor of Mpro SARS-CoV-2 Protein; A Molecular Dynamics Approach. 筛选天然化合物作为 Mpro SARS-CoV-2 蛋白的抑制剂;一种分子动力学方法。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-19 DOI: 10.2174/0113816128315762240828052002
Anum Javaid, Nousheen Bibi, Malik Siddique Mahmood, Hina Batool, Sana Batool, Arslan Hamid, Mahjabeen Saleem, Naeem Mahmood Ashraf, Tayyaba Afsar, Ali Almajwal, Suhail Razak
{"title":"Screening of Natural Compounds as Inhibitor of Mpro SARS-CoV-2 Protein; A Molecular Dynamics Approach.","authors":"Anum Javaid, Nousheen Bibi, Malik Siddique Mahmood, Hina Batool, Sana Batool, Arslan Hamid, Mahjabeen Saleem, Naeem Mahmood Ashraf, Tayyaba Afsar, Ali Almajwal, Suhail Razak","doi":"10.2174/0113816128315762240828052002","DOIUrl":"https://doi.org/10.2174/0113816128315762240828052002","url":null,"abstract":"<p><strong>Background: </strong>New strains of SARS-CoV-2 are continually emerging worldwide. Recently, WHO warned of a severe new wave in Europe. Current vaccines cannot fully prevent reinfection in vaccinated individuals.</p><p><strong>Aim: </strong>Given this issue, recent research focuses on new antiviral candidates with high efficacy and minimal side effects.</p><p><strong>Objectives: </strong>Screen natural compounds as inhibitors of Mpro SARS-CoV-2 protein using molecular dynamics.</p><p><strong>Methods: </strong>In this study, we have screened the potential of plant-based natural anti-viral compounds. A library of the 579 compounds was generated using currently available literature and online databases. All these compounds were screened based on their binding affinities as predicted by molecular docking analysis and compounds having binding affinity values ≤ -10 Kcal/mol were considered for analysis. Furthermore, from physicochemical assessment, drug-likeness initially nine compounds were identified as the antiviral targets for the selected viral proteins. After ADMET analysis and simulations, the compound 9064 with the lowest RMSD, Coul-SR interaction energy (-71.53 kJ/mol), and LJ-SR energy (-95.32 kJ/mol) was selected as the most stable drug candidate against COVID-19 main protease Mpro.</p><p><strong>Results: </strong>The ΔG value, calculated using MMGBSA also revealed strong binding of the compound with Mpro. The selected antiviral compound 9064 is an antioxidant flavonoid (Catechin or Cianidanol), which was previously known to have significant immunomodulatory, anti-inflammatory, and antioxidant properties.</p><p><strong>Conclusion: </strong>Considering the limitations of currently available vaccines, our study may provide new insight into potential drugs that may prevent SARS-CoV-2 infection in humans.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142675283","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
The Rise of FLiRT Variants in the COVID-19 Pandemic: What We Know So Far. COVID-19大流行中FLiRT变体的兴起:我们目前了解到的情况。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-14 DOI: 10.2174/0113816128355749241111045626
Md Sadique Hussain, Gaurav Gupta
{"title":"The Rise of FLiRT Variants in the COVID-19 Pandemic: What We Know So Far.","authors":"Md Sadique Hussain, Gaurav Gupta","doi":"10.2174/0113816128355749241111045626","DOIUrl":"10.2174/0113816128355749241111045626","url":null,"abstract":"","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616322","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
Therapeutic Potential of Neutralizing Monoclonal Antibodies (nMAbs) against SARS-CoV-2 Omicron Variant. 针对 SARS-CoV-2 Omicron 变体的中和单克隆抗体 (nMAbs) 的治疗潜力。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-13 DOI: 10.2174/0113816128334441241108050528
Pijus Parua, Somnath Ghosh, Koushik Jana, Arnab Seth, Biplab Debnath, Saroj Kumar Rout, Manoj Kumar Sarangi, Rasmita Dash, Jitu Halder, Tushar Kanti Rajwar, Deepak Pradhan, Vineet Kumar Rai, Priyanka Dash, Chandan Das, Biswakanth Kar, Goutam Ghosh, Goutam Rath
{"title":"Therapeutic Potential of Neutralizing Monoclonal Antibodies (nMAbs) against SARS-CoV-2 Omicron Variant.","authors":"Pijus Parua, Somnath Ghosh, Koushik Jana, Arnab Seth, Biplab Debnath, Saroj Kumar Rout, Manoj Kumar Sarangi, Rasmita Dash, Jitu Halder, Tushar Kanti Rajwar, Deepak Pradhan, Vineet Kumar Rai, Priyanka Dash, Chandan Das, Biswakanth Kar, Goutam Ghosh, Goutam Rath","doi":"10.2174/0113816128334441241108050528","DOIUrl":"10.2174/0113816128334441241108050528","url":null,"abstract":"<p><strong>Background: </strong>The COVID-19 pandemic has spurred significant endeavors to devise treatments to combat SARS-CoV-2. A limited array of small-molecule antiviral drugs, specifically monoclonal antibodies and interferon therapy, have been sanctioned to treat COVID-19. These treatments typically necessitate administration within ten days of symptom onset. There have been reported reductions in the effectiveness of these medications due to mutations in non-structural protein genes, particularly against Omicron subvariants. This underscores the pressing requirement for healthcare systems to continually monitor pathogen variability and its impact on the efficacy of prevention and treatments.</p><p><strong>Aim: </strong>This review aimed to comprehend the therapeutic benefits and recent progress of nMAbs for preventing and treating the Omicron variant of SARS-CoV-2.</p><p><strong>Results and discussion: </strong>Neutralizing monoclonal antibodies (nMAbs) provide a treatment avenue for severely affected individuals, especially those at high risk for whom vaccination is not viable. With their specific epitope affinity, they pose no significant risk of severe adverse effects. The degree of reduction in neutralization varies significantly across different monoclonal antibodies and variant combinations. For instance, Sotrovimab maintained its neutralization effectiveness against Omicron BA.1, but exhibited diminished efficacy against BA.2, BA.4, BA.5, and BA.2.12.1.</p><p><strong>Conclusion: </strong>Bebtelovimab has been observed to preserve its efficacy against all subtypes of the Omicron variant. Subsequently, WKS13, mAb-39, 19n01, F61-d2 cocktail, etc., have become effective. This review has highlighted the therapeutic implications of nMAbs in SARS-CoV-2 Omicron treatment and the progress of COVID-19 drug discovery.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616323","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
Co-loading Radio-photosensitizer Agents on Polymer and Lipid-based Nanocarriers for Radio-photodynamic Therapy Purposes: Review. 在聚合物和脂质纳米载体上共负载放射光敏剂,用于放射光动力治疗:综述。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-08 DOI: 10.2174/0113816128335001241020162217
Kave Moloudi, Heidi Abrahamse, Blassan P George
{"title":"Co-loading Radio-photosensitizer Agents on Polymer and Lipid-based Nanocarriers for Radio-photodynamic Therapy Purposes: Review.","authors":"Kave Moloudi, Heidi Abrahamse, Blassan P George","doi":"10.2174/0113816128335001241020162217","DOIUrl":"https://doi.org/10.2174/0113816128335001241020162217","url":null,"abstract":"<p><p>Polymer and lipid-based nanocarriers are a state-of-art in nanomedicine and in co-drug delivery of drugs that could merges various diagnostic and treatment modalities such radiotherapy (RT), photodynamic therapy (PDT) and chemotherapy (CT) in cancer therapy. Among various shapes and nanostructures, polymer and lipid-based nanocarriers have the potential to carry two drugs in same time to cells. However, hydrophobic and hydrophilic drug can be loaded in between layers as well as in the core of these nanocarriers, simultaneously. This advantage of NPs can be employed in combination therapy. Radiosensitizer and photosensitizer agents play a critical role in radio-photodynamic therapy (RT-PDT) of cancer. Co-delivery of these agents to cancerous cells is advantageous to cancer therapy but still remain as a challenge of RT-PDT. However, in this review, we have highlighted the challenges of RT-PDT and role of polymer and lipid-based nanocarriers to codelivery of hydrophobic and hydrophilic agents as radio-photosensitizers. Hence, the different kinds of Poly (lactic-co-glycolic acid) nanoparticles (NPs) have been categorized. Then, the biophysical mechanism of radio- photosensitizer agents with co-loading on polymer and lipid-based nanocarriers in RT-PDT treatment of cancer has been outlined. Finally, attention has been drawn to polymer and lipid-based nanocarriers in codrugs delivery. Taken together, this work presents the latest updates on this area and highlighted the pros and cons of co-delivery for RT-PDT purposes.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616319","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
Screening of Optimal Phytoconstituents through in silico Docking, Toxicity, Pharmacokinetic, and Molecular Dynamics Approach for Fighting against Polycystic Ovarian Syndrome. 通过硅学对接、毒性、药代动力学和分子动力学方法筛选最佳植物成分,以防治多囊卵巢综合征。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-07 DOI: 10.2174/0113816128330398241015115043
Pavithra Lakshmi Narayanan, Chitra Vellapandian
{"title":"Screening of Optimal Phytoconstituents through in silico Docking, Toxicity, Pharmacokinetic, and Molecular Dynamics Approach for Fighting against Polycystic Ovarian Syndrome.","authors":"Pavithra Lakshmi Narayanan, Chitra Vellapandian","doi":"10.2174/0113816128330398241015115043","DOIUrl":"https://doi.org/10.2174/0113816128330398241015115043","url":null,"abstract":"<p><strong>Background: </strong>Polycystic ovarian syndrome (PCOS) is a hormonal disorder caused by excessive secretion of male sex hormones in females. Herbal remedies for PCOS are lightning up as they bypass the adverse effects and are profoundly safe on prolonged usage.</p><p><strong>Objective: </strong>The present study included a selection of 34 herbs pursuing biological effects on the uterus, and their major chemical constituents were subjected to a series of in silico techniques using different software. The proteins contributing majorly to the hormonal functions like Human cytochrome P450 CYP17A1 (3RUK), Progesterone (1E3K), and estrogen receptor (1X7R) were selected for the study.</p><p><strong>Methods: </strong>Molecular docking studies were performed using AutoDock 1.5.7. The pharmacokinetic properties were predicted using the SwissADME online tool, while toxicity parameters were assessed with OSIRIS toxicity explorer and pkCSM. Molecular dynamics simulations and free energy calculations were performed using the Schrödinger suite.</p><p><strong>Results: </strong>Constituents with a basic steroidal nucleus demonstrated high binding energy values. An analysis of all the in silico techniques showed that Sarsasapogenin from Asparagus racemosus exhibited strong binding energies of -10.88 kcal/mol, -10.51 kcal/mol, and -9.79 kcal/mol with the selected specific proteins. In molecular dynamics simulations, Sarsasapogenin displayed ideal stability, with RMSD fluctuations below 3 Å and RMSF slightly higher than the corresponding peak of apoprotein. Additionally, it showed a favorable druglikeness profile and non-toxic effects across all screened parameters.</p><p><strong>Conclusion: </strong>From the list of the selected constituents, sarsasapogenin was found to be ideal, and further research on it for targeting PCOS is expected to yield promising results.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142603580","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
A Cross-talk between Nanomedicines and Cardiac Complications: Comprehensive View. 纳米药物与心脏并发症之间的交叉对话:综合观点。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-05 DOI: 10.2174/0113816128347223241021111914
Shagufta Jawaid, Yogesh Joshi, Nauroz Neelofar, Khuzamah Khursheed, Samya Shams, Mansi Chaudhary, Mitali Arora, Karan Mahajan, Firoz Anwar
{"title":"A Cross-talk between Nanomedicines and Cardiac Complications: Comprehensive View.","authors":"Shagufta Jawaid, Yogesh Joshi, Nauroz Neelofar, Khuzamah Khursheed, Samya Shams, Mansi Chaudhary, Mitali Arora, Karan Mahajan, Firoz Anwar","doi":"10.2174/0113816128347223241021111914","DOIUrl":"10.2174/0113816128347223241021111914","url":null,"abstract":"<p><strong>Background: </strong>Cardiovascular Diseases (CVDs) are the leading cause of global morbidity and mortality, necessitating innovative approaches for both therapeutics and diagnostics. Nanoscience has emerged as a promising frontier in addressing the complexities of CVDs.</p><p><strong>Objective: </strong>This study aims to explorethe interaction of CVDs and Nanomedicine (NMs), focusing on applications in therapeutics and diagnostics.</p><p><strong>Observations: </strong>In the realm of therapeutics, nanosized drug delivery systems exhibit unique advantages, such as enhanced drug bioavailability, targeted delivery, and controlled release. NMs platform, including liposomes, nanoparticles, and carriers, allows the precise drug targeting to the affected cardiovascular tissues with minimum adverse effects and maximum therapeutic efficacy. Moreover, nanomaterial (NM) enables the integration of multifunctional components, such as therapeutic agents and target ligands, into a single system for comprehensive CVD management. Diagnostic fronts of NMs offer innovative solutions for early detection and monitoring of CVDs. Nanoparticles and nanosensors enable highly sensitive and specific detection of Cardiac biomarkers, providing valuable insights into a disease state, its progression, therapeutic outputs, etc. Further, nano-based technology via imaging modalities offers high high-resolution imaging, aiding in the vascularization of cardiovascular structures and abnormalities. Nanotechnology-based imaging modalities offer high-resolution imaging and aid in the visualization of cardiovascular structures and abnormalities.</p><p><strong>Conclusion: </strong>The cross-talk of CVDs and NMs holds tremendous potential for revolutionizing cardiovascular healthcare by providing targeted and efficient therapeutic interventions, as well as sensitive and early detection for the improvement of patient health if integrated with Artificial Intelligence (AI).</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142590442","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
Design, Synthesis, and Molecular Docking of Quinazolines Bearing Caffeoyl Moiety for Targeting of PGK1/PKM2/STAT3 Signaling Pathway in the Human Breast Cancer. 针对人类乳腺癌 PGK1/PKM2/STAT3 信号通路的含咖啡酰基喹唑啉类化合物的设计、合成和分子对接。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-05 DOI: 10.2174/0113816128337881241016064641
Rita M Borik, Mohammed A Hussein
{"title":"Design, Synthesis, and Molecular Docking of Quinazolines Bearing Caffeoyl Moiety for Targeting of PGK1/PKM2/STAT3 Signaling Pathway in the Human Breast Cancer.","authors":"Rita M Borik, Mohammed A Hussein","doi":"10.2174/0113816128337881241016064641","DOIUrl":"10.2174/0113816128337881241016064641","url":null,"abstract":"<p><strong>Background: </strong>PGK1 and PKM2 are glycolytic enzymes, and their expression is upregulated in cancer cells. STAT3 is a transcription factor implicated in breast cancer progression and chemoresistance. Researchers worldwide continue to explore how targeting genes might lead to more effective anti-breast cancer therapies. The present study aims to synthesize quinazolines containing caffeoyl moiety for developing innovative anticancer agents against the human breast cancer cell line (MCF-7).</p><p><strong>Methods: </strong>A new quinazoline 2 was synthesized by reacting caffeic acid with 5-amino-phenylpyrazole carboxylate 1 in the presence of PCl3. Compound 2 reacted with NH2NH2.H2O to produce compound 3 through cyclo-condensation. Apoptosis and necrosis as well as inhibition activity compounds 2 and 3 against PGK1, and PKM2 were evaluated. The effect of compounds 2 and 3 on the levels of GSH, GR, SOD, GPx, CAT, MDA, Bax, Bcl-2, caspase-3, P53 and VEGF levels as well as PGK1, PKM2 and STAT3 gene expression were estimated in MCF-7 tumor cells.</p><p><strong>Results: </strong>The viability of MCF-7 cells was reduced to 22.42% and 45.86% after incubation with compounds 2 and 3 for 48 hours, respectively. The IC50 values for compounds 2 and 3 are 62.05 μg/mL and 16.73 μg/mL. Furthermore, compound 3 exhibited more significant apoptosis and necrosis than compound 2. IC50 values of compound 2 against PGK1, and PKM2 at interval concentration equals 1.04, and 0.32 μM/mL, respectively, after 210 minutes of incubation. Moreover, compound 3 were revealed strong inhibition of PGK1, and PKM2 with IC50 values equals 0.55 and 0.21 μg/mL, respectively after 210 minutes of incubation. Our results proved that the incubation of compounds 2 and 3 with MCF-7 cells increased the levels of apoptotic proteins, elevated MDA, Bax, caspase-3 and P53 levels, depleted GSH, GR, SOD, GPx, CAT, Bcl-2 levels and downregulated the levels of STAT3, PGK1, and PKM2 gene expression significantly. Our In-silico results proved that compound 2 showed a stronger estimated binding affinity with a ΔG of -7.2, -7.5, and - 7.9 kcal/mol., respectively towards PGK1, PKM2 and STAT3 proteins. Also, compound 3 exhibits a strong binding affinity with ΔG of -7.9, -8.5, and - 8.7 kcal/mol., towards PGK1, PKM2 and STAT3 proteins.</p><p><strong>Conclusion: </strong>The results show that compounds 2 and 3 induce apoptotic activity by blocking the PGK1- PKM2-STAT3 signaling pathway. The present investigation opens exciting possibilities for developing innovative new anticancer quinazolines bearing caffeoyl moiety.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142590443","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
Mechanistic Studies on the Antidiabetic Properties of Gallotannins. 关于五倍子单宁抗糖尿病特性的机理研究
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-04 DOI: 10.2174/0113816128338114241021110221
Xueqing Li, Wei Wu, Yuting Liu, Jiale Zhao, Yibei Gui, Hailin Wang, Lijun Wang, Yiyang Luo, Gang Zhou, Yumin He, Chengfu Yuan
{"title":"Mechanistic Studies on the Antidiabetic Properties of Gallotannins.","authors":"Xueqing Li, Wei Wu, Yuting Liu, Jiale Zhao, Yibei Gui, Hailin Wang, Lijun Wang, Yiyang Luo, Gang Zhou, Yumin He, Chengfu Yuan","doi":"10.2174/0113816128338114241021110221","DOIUrl":"https://doi.org/10.2174/0113816128338114241021110221","url":null,"abstract":"<p><p>The escalating prevalence of type 2 diabetes (T2DM) has emerged as a global public health dilemma. This ailment is associated with insulin resistance and heightened blood glucose concentrations. Despite the rapid advancements in modern medicine, where a regimen of medications is employed to manage blood glucose effectively, certain treatments manifest significant adverse reactions. Recent studies have elucidated the pivotal role of gallotannins in mitigating inflammation and obesity, potentially reducing the prevalence of obesity-linked T2DM. Gallotannins, defined by their glycosidic cores and galloyl groups, are ubiquitously present in plants, playing diverse biological functions and constituting a significant segment of water-soluble polyphenolic compounds within the heterogeneous tannins group. The structural attributes of gallotannins are instrumental in dictating their myriad biological activities. Owing to their abundance of hydroxyl groups (-OH) and complex macromolecular structure, gallotannins exhibit an array of pro-physiological properties, including antioxidant, anti-inflammatory, antidiabetic, protein-precipitating, and antibacterial effects. Extensive research demonstrates that gallotannins specifically obstruct α-amylase and pancreatic lipase, enhance insulin sensitivity, modulate short-chain fatty acid production, alleviate oxidative stress, exhibit anti-inflammatory properties, and influence the gut microbiota, collectively contributing to their antidiabetic efficacy. This review aims to consolidate and scrutinize the extant literature on gallotannins to furnish essential insights for their potential application in diabetes management.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582225","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
Network Pharmacological Analysis of Hydroxychloroquine Intervention in the Treatment of Iga Nephropathy. 羟氯喹干预治疗 Iga 肾病的网络药理学分析
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-01 DOI: 10.2174/0113816128347345241028063515
Mengxiao Zou, Gang Xu, Shuwang Ge, Kanglin Guo, Qian Duo, Yichun Cheng
{"title":"Network Pharmacological Analysis of Hydroxychloroquine Intervention in the Treatment of Iga Nephropathy.","authors":"Mengxiao Zou, Gang Xu, Shuwang Ge, Kanglin Guo, Qian Duo, Yichun Cheng","doi":"10.2174/0113816128347345241028063515","DOIUrl":"https://doi.org/10.2174/0113816128347345241028063515","url":null,"abstract":"<p><strong>Background: </strong>IgA nephropathy (IgAN) is the most prevalent primary glomerulonephritis globally and has a high propensity to develop into end-stage renal disease (ESRD). Hydroxychloroquine has been proven to reduce proteinuria in IgAN patients, but the precise mechanism remains unclear. Therefore, network pharmacology was used to investigate the mechanism.</p><p><strong>Methods: </strong>PubChem and SwissADME databases were utilized to acquire the structure of hydroxychloroquine. The SwissTargetPrediction, PharmMapper, DrugBank, TargetNet, and BATMAN-TCM databases were then utilized to obtain the targets. The target genes related to IgAN were then gathered from the databases, which included GeneCards, PHARMGKB, DrugBank, OMIM, and DisGeNET. Common targets were obtained by UniProt. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed to define the main molecular mechanisms and pathways. Furthermore, a protein-protein interaction (PPI) network was constructed using the STRING tool, and the core targets were obtained by Cytoscape. Finally, molecular docking between the core targets and hydroxychloroquine was performed.</p><p><strong>Results: </strong>167 common target genes were acquired by overlapping. The core targets were TNF, ALB, IL1B, JUN, FOS, SRC, and MMP9. The GO and KEGG results showed the targets to be related to the production of inflammatory cytokines and chemokines and were engaged in the toll-like receptor (TLR) signaling pathway. At the same time, the molecular docking results showed that the core targets all combined with hydroxychloroquine closely.</p><p><strong>Conclusion: </strong>This study proved that hydroxychloroquine may treat IgAN through the TLR signaling pathway, and the restraint of TNF, TLR, IL1B, and JUN may be essential for the treatment.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567381","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
Cutting-Edge Strategies for Overcoming Therapeutic Barriers in Alzheimer's Disease. 克服阿尔茨海默病治疗障碍的前沿策略。
IF 2.6 4区 医学
Current pharmaceutical design Pub Date : 2024-11-01 DOI: 10.2174/0113816128344571241018154506
Aparna Inamdar, Bannimath Gurupadayya, Prashant Halagali, Nandakumar S, Rashmi Pathak, Himalaya Singh, Himanshu Sharma
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