Structure-guided screening identified bioactive phytoconstituents Hernandonine and Anolobine as potential inhibitors of dual specificity protein kinase CLK1 by Sumaiya Khan, Arunabh Choudhury, Taj Mohammad, Anas Shamsi, Md Imtaiyaz Hassan, Asimul Islam

“…Therefore, there is an urgent need for novel therapeutic interventions that offer improved effectiveness with fewer side effects. …”
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Uncovering mechanism of hepatotoxicity diseases caused by tetrahydrocannabinol based on novel network toxicology and experimental verification by Tiantian Zou, Ruilin Zhang, Liping Hu, Genmeng Yang, Xuanyu Chen, Mengqing Wang, Tiantian Cheng, Shengjie Nie, Linlin Liu, Shijun Hong

“…Molecular docking simulations demonstrated strong binding affinities between THC and functional domains of 17 target proteins that participated in the aforementioned enriched pathways. …”
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Rapid degeneration and neurochemical plasticity of the lateral geniculate nucleus following lesions of the primary visual cortex in marmoset monkeys by Gaoyuan Ma, Jonathan M. Chan, Katrina H. Worthy, Marcello G.P. Rosa, Nafiseh Atapour

“…This study highlights the limited time window for any possible interventions aimed at reducing secondary neuronal loss in the visual afferent pathways following damage to V1.…”
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Alveolar epithelial cells in bacterial sepsis-associated acute lung injury: mechanisms and therapeutic strategies by Guiyang Jia, Guiyang Jia, Erqin Song, Zhiyou Zheng, Mingjiang Qian, Guoyue Liu

“…This review underscores the need for further research into the complex mechanisms of AEC injury in bacterial sepsis and advocates for the development of more targeted interventions to improve patient outcomes.…”
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Distinct structural mechanisms of LGR4 modulation by Norrin and RSPOs in Wnt/β-catenin signaling by Huarui Qiao, Fangzheng Hu, Yiang Wang, Lu Wang, Siyu Zhou, Shaojue Guo, Yiwen Xu, Jianfeng Xu, Qianqian Cui, Qilun Yang, H. Eric Xu, Jianwei Zhu, Yong Geng

“…Disease-linked mutations map to distinct functional regions: those disrupting LGR4 interaction are associated with familial exudative vitreoretinopathy (FEVR), while others impairing Frizzled4 binding are linked to Norrie disease. Furthermore, we developed a high-affinity nanobody that blocks both Norrin and RSPO binding to LGR4, providing a potential tool for therapeutic intervention. …”
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Systems Biology-Driven Discovery of Host-Targeted Therapeutics for Oropouche Virus: Integrating Network Pharmacology, Molecular Docking, and Drug Repurposing by Pranab Dev Sharma, Abdulrahman Mohammed Alhudhaibi, Abdullah Al Noman, Emad M. Abdallah, Tarek H. Taha, Himanshu Sharma

“…<b>Results:</b> The PPI network analysis highlighted immune-mediated pathways such as Fc-gamma receptor signaling, cytokine control, and T-cell receptor signaling as critical intervention points. Molecular docking revealed strong binding affinities between the selected compounds and the prioritized targets, suggesting their potential efficacy as host-targeting antiviral candidates. …”
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Small but Mighty: Nanobodies in the Fight Against Infectious Diseases by Wenning Jiang, Chundong Huang, Serge Muyldermans, Lingyun Jia

“…This review introduces Nbs and focuses on discussing their mechanisms and intervention strategies in the treatment of viral and bacterial infections.…”
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Elucidating the mechanism of phthalates induced osteoporosis through network toxicology and molecular docking by Xiao Zhang, Xi Zhu, Wenbo Gu, Xusheng Li, Tenyao Niu, Pengcheng Mao, Haifeng Yuan

“…Molecular docking revealed the specific binding effect between plasticizers and target proteins. …”
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Longitudinal analysis of SARS-CoV-2 IgG antibody durability in Puerto Rico by Zachary J. Madewell, Nathan E. Graff, Velma K. Lopez, Dania M. Rodriguez, Joshua M. Wong, Panagiotis Maniatis, Freddy A. Medina, Jorge L. Muñoz, Melissa Briggs-Hagen, Laura E. Adams, Vanessa Rivera-Amill, Gabriela Paz-Bailey, Chelsea G. Major

“…Abstract Understanding the dynamics of antibody responses following vaccination and SARS-CoV-2 infection is important for informing effective vaccination strategies and other public health interventions. This study investigates SARS-CoV-2 antibody dynamics in a Puerto Rican cohort, analyzing how IgG levels vary by vaccination status and previous infection. …”
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Substrate-Induced Structural Dynamics and Evolutionary Linkage of Siderophore-Iron ABC Transporters of <i>Mycobacterium tuberculosis</i> by Aisha Farhana, Abdullah Alsrhani, Hasan Ejaz, Muharib Alruwaili, Ayman A. M. Alameen, Emad Manni, Zafar Rasheed, Yusuf Saleem Khan

“…<i>Background and Objective</i>: ATP-binding cassette (ABC) transporters are prominent drug targets due to their highly efficient trafficking capabilities and their significant physiological and clinical roles. …”
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Suppression of ZBP1-mediated NLRP3 inflammasome by the tegument protein VP22 facilitates pseudorabies virus infection by Zicheng Ma, Depeng Liu, Wandi Cao, Lei Guo, Kesen Liu, Juan Bai, Xingyi Li, Ping Jiang, Xing Liu

“…ABSTRACT The interaction between Z-DNA binding protein 1 (ZBP1) and the NLR family pyrin domain-containing 3 (NLRP3) inflammasome has been uncovered in several viral infections. …”
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Role of hormonal factor in development of primary and secondary tumorous process in the brain by O. I. Kit, V. A. Bandovkina, E. M. Frantsiyants, E. E. Rostorguev, I. V. Balyazin-Parfenov, N. D. Cheryarina

“…Meningiomas revealed high concentration of cortisole, ACTH, prolactine, STH, testosterone and sex-binding globulin, as well as a low level of progesterone. …”
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Growth-promoting hormonal alterations in pregnant women living with HIV receiving dolutegravir-based antiretroviral treatment are associated with lower infant 1-year weight z-score... by Kathleen M. Powis, Kathleen M. Powis, Kathleen M. Powis, Jennifer Jao, Jennifer Jao, Jennifer Jao, Justine Legbedze, Caroline Dunk, Keolebogile N. Mmasa, Samuel W. Kgole, Gosego Masasa, Terence Mohammed, Joseph Makhema, Sikhulile Moyo, Mitchell E. Geffner, Elaine J. Abrams, Lena Serghides, Lena Serghides

“…Additional research is needed to identify mechanisms and possible interventions.…”
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The effect of early COVID-19 treatment with convalescent plasma on antibody responses to SARS-CoV-2 by Andy Kwan Pui Chan, San Suwanmanee, Arturo Casadevall, Shmuel Shoham, Evan M. Bloch, Kelly A. Gebo, Aaron A. R. Tobian, Andrew Pekosz, Sabra L. Klein, David Sullivan, Diane E. Griffin

“…However, the massive monoclonal antibody dose, near 7% of total circulating antibodies, has been shown to decrease patient generation of SARS-CoV-2 specific IgM and lower responses to vaccination, possibly by decreasing generation of high avidity neutralization epitopes near the monoclonal binding epitope. We characterized diverse antibody population quality and quantity among intervention groups in the polyclonal COVID-19 convalescent plasma (CCP) randomized control trial, effective in reducing hospitalizations by more than 50% in all participants and 80% in those receiving transfusions with symptom onset before 5 days. …”
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An Attention‐Aware Multi‐Task Learning Framework Identifies Candidate Targets for Drug Repurposing in Sarcopenia by Md Selim Reza, Chuan Qiu, Xu Lin, Kuan‐Jui Su, Anqi Liu, Xiao Zhang, Yun Gong, Zhe Luo, Qing Tian, Martin Nwadiugwu, Shaung Liang, Hui Shen, Hong‐Wen Deng

“…This binding is stabilized by hydrophobic bonds, Van der Waals forces, pi‐alkyl interactions and pi‐anion interactions around PTK2B's active residues, suggesting its potential as a therapeutic option. …”
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Suppressing lipid biosynthesis in Mycobacterium tuberculosis through polyketide synthase 13 thioesterase inhibition: Insights from computational analysis by Maha M. Alawi, Hattan S. Gattan, Azzah S. Alharbi, Mohammed H. Alruhaili, Ibrahim A. Al-Zahrani, Saad B.AL Masaud, Vivek Dhar Dwivedi, Esam I. Azhar

“…The MMGBSA method was used to calculate the binding-free energy. Further conformational landscape analysis was applied using FEL. …”
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Myeloid dendritic cells and periodontal disease association: integrated study of single-cell sequencing and Mendelian randomization analysis by ChengJi Shi, XinYi Ou, XiaoXu Lei, LiJuan Huang, ShuHao Xu, Wei Li, Xi Zhao

“…MR analysis identified twenty-six significant genes, with LIMA1 (LIM domain and actin-binding 1) demonstrating a robust causal association with the progression of periodontal disease. …”
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Gentisic acid prevents the development of atherosclerotic lesions by inhibiting SNX10-mediated stabilization of LRP6 by Tongqing Chen, Yiming Wang, Jia-Lin Yang, Jiahui Ni, Keyuan You, Xuesong Li, Yuping Song, Xu Wang, Jian Li, Xiaoyan Shen, Yujuan Fan, Yan You

“…Atherosclerotic-related acute cardiovascular events remain a leading cause of mortality worldwide, yet there are currently no pharmacological interventions available to address plaque formation or plaque rupture (PR). …”
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Assessment of novel biomarkers of renal dysfunction associated with lower urinary tract symptoms in men with benign prostatic hyperplasia by V. Yu. Startsev, V. A. Dudarev

“…Clinical diagnostic methods do not always allow timely prediction of changes in renal, upper and lower urinary tract function with different types of treatment intervention. The search for potential biomarkers allowing minimally invasive assessment of the bladder and renal function condition seems to be a promising direction of scientific research.Objective. …”
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ANN-QSAR, Molecular Docking, ADMET Predictions, and Molecular Dynamics Studies of Isothiazole Derivatives to Design New and Selective Inhibitors of HCV Polymerase NS5B by Maroua Fattouche, Salah Belaidi, Oussama Abchir, Walid Al-Shaar, Khaled Younes, Muneerah Mogren Al-Mogren, Samir Chtita, Fatima Soualmia, Majdi Hochlaf

“…<b>Background/Objectives:</b> RNA polymerase (NS5B), serves as a crucial target for pharmaceutical interventions aimed at combating the hepatitis C virus (HCV), which poses significant health challenges worldwide. …”
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