Using computer modeling to find new LRRK2 inhibitors for parkinson’s disease by María C. García, Sebastián A. Cuesta, José R. Mora, Jose L. Paz, Yovani Marrero-Ponce, Frank Alexis, Edgar A. Márquez

“…Molecular docking and molecular dynamics simulations were performed to provide a comprehensive understanding of the interactions between LRRK2 and the inhibitors in the data set and best molecules of the screening. Free energy of binding calculation along with hydrogen bond occupancy analysis and RMSD of the ligand in the pocket show CRA_1801 as the best candidate to be repurposed as LRRK2 inhibitor.…”
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Expression of genes of cytokines, transcription factors and differentiation antigens in human dendritic cells activated by double-stranded DNA by A. S. Proskurina, K. E. Orishchenko, E. A. Potter, E. V. Dolgova, A. V. Spaselnikova, G. S. Ritter, N. A. Varaksin, T. G. Ryabicheva, O. Y. Leplina, A. A. Ostanin, E. R. Chernykh, S. S. Bogachev

“…The stimulatory effect of DNA on DCs is mediated by the TLR9 signaling pathway and/or through a system of cytosolic sensors and is manifested by increased expression of MHC class II antigens and costimulatory molecules and by increased synthesis of immunoregulatory cytokines. …”
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Unravelling Lithium Interactions in Non-Flammable Gel Polymer Electrolytes: A Density Functional Theory and Molecular Dynamics Study by Nasser AL-Hamdani, Paula V. Saravia, Javier Luque Di Salvo, Sergio A. Paz, Giorgio De Luca

“…The findings derived from radial distribution functions, coordination numbers, and interaction energy calculations indicate that Li⁺ exhibits an affinity with solvent molecules and counter-anions over the functional groups on the polymer matrix, highlighting the preeminent influence of electrolyte components in Li⁺ solvation and transport. …”
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Vimentin-Rab7a Pathway Mediates the Migration of MSCs and Lead to Therapeutic Effects on ARDS by Kai Wang, Boxiang Du, Yan Zhang, Congyou Wu, Xiuli Wang, Xu Zhang, Liwei Wang

“…Finally, through immunoprecipitation and gene knockout experiments, we identified upstream molecules that regulate vimentin and elucidated the mechanism that mediates MSC migration. …”
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Extensive Characterization of Mesenchymal Stem Cell Marker Expression on Freshly Isolated and In Vitro Expanded Human Adipose-Derived Stem Cells from Breast Cancer Patients by Premrutai Thitilertdecha, Visnu Lohsiriwat, Poonsin Poungpairoj, Varangkana Tantithavorn, Nattawat Onlamoon

“…Phenotypic characterization of heterogeneous cell subsets in stromal vascular fraction (SVF) isolated from fat tissues by flow cytometry was also limited to a combination of few molecules. This study, therefore, developed a polychromatic staining panel for an in-depth characterization of freshly isolated SVF and expanded adipose-derived stem cells (ADSC) from the patients. …”
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Cigarette smoke compromises macrophage innate sensing in response to pneumococcal infection by Wei-Chih Liao, Chia-Huei Chou, Mao-Wang Ho, Jo-Tsen Chen, Shu-Ling Chou, Yu-Tsen Huang, Ngoc-Niem Bui, Hui-Yu Wu, Chi-Fan Lee, Wei-Chien Huang, Chih-Ho Lai

“…Conclusion: Our results provide evidence that CS manipulates the signaling molecules to subvert macrophage functions, thereby hindering the innate response against pneumococcal infection.…”
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Lysosome and Cytoskeleton Pathways Are Robustly Enriched in the Blood of Septic Patients: A Meta-Analysis of Transcriptomic Data by Jie Ma, Chuanxi Chen, Andreas S. Barth, Chris Cheadle, Xiangdong Guan, Li Gao

“…In contrast, pathways related to “Ribosome”, “Spliceosome” and “Cell adhesion molecules” were found to be downregulated, along with known pathways for immune dysfunction. …”
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Coupling of an Au@AgPt nanozyme array with an micrococcal nuclease-specific responsiveness strategy for colorimetric/SERS sensing of Staphylococcus aureus in patients with sepsis by Xueqin Huang, Yingqi Yang, Hanlin Zhou, Liping Hu, Annan Yang, Hua Jin, Biying Zheng, Jiang Pi, Jun Xu, Pinghua Sun, Huai-Hong Cai, Xujing Liang, Bin Pan, Junxia Zheng, Haibo Zhou

“…The trimetallic Au@AgPt nanozymes can catalyze the oxidation of 3,3’,5,5’-tetramethylbenzidine (TMB) molecules to SERS-enhanced oxidized TMB (oxTMB), accompanied by the color change from colorless to blue. …”
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Mycobacterium tuberculosis Protein Rv3841 Activates Dendritic Cells and Contributes to a T Helper 1 Immune Response by Seunga Choi, Han-Gyu Choi, Ki-Won Shin, Yong Woo Back, Hye-Soo Park, Jae Hwi Lee, Hwa-Jung Kim

“…We found that Rv3841 functionally activated DCs by upregulating costimulatory molecules and increased secretion of proinflammatory cytokines. …”
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Feature selection enhances peptide binding predictions for TCR-specific interactions by Hamid Teimouri, Hamid Teimouri, Zahra S. Ghoreyshi, Zahra S. Ghoreyshi, Anatoly B. Kolomeisky, Anatoly B. Kolomeisky, Anatoly B. Kolomeisky, Jason T. George, Jason T. George, Jason T. George, Jason T. George

“…IntroductionT-cell receptors (TCRs) play a critical role in the immune response by recognizing specific ligand peptides presented by major histocompatibility complex (MHC) molecules. Accurate prediction of peptide binding to TCRs is essential for advancing immunotherapy, vaccine design, and understanding mechanisms of autoimmune disorders.MethodsThis study presents a theoretical approach that explores the impact of feature selection techniques on enhancing the predictive accuracy of peptide binding models tailored for specific TCRs. …”
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Frequent Recurrences of Genital Herpes Are Associated with Enhanced Systemic HSV-Specific T Cell Response by Michal Holub, Alžběta Stráníková, Pavel Chalupa, Simona Arientová, Kateřina Roubalová, Ondřej Beran

“…T cell responses to HSV-1 and HSV-2 native antigens and the expression of HLA-DR and CD38 molecules on circulating CD8+ T cells were analysed in adults with high frequency of GH recurrences (19 patients) and low frequency of GH recurrences (7 patients) and 12 HSV-2 seronegative healthy controls. …”
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Amine Analysis Using AlexaFluor 488 Succinimidyl Ester and Capillary Electrophoresis with Laser-Induced Fluorescence by Christian G. Kendall, Amanda M. Stockton, Stephen Leicht, Heather McCaig, Shirley Chung, Valerie Scott, Fang Zhong, Ying Lin

“…The method presented here represents a novel addition to the arsenal of fluorescent probes available for highly sensitive analysis of small organic molecules.…”
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Lipid-Rich Extract from Mexican Avocado Seed (Persea americana var. drymifolia) Reduces Staphylococcus aureus Internalization and Regulates Innate Immune Response in Bovine Mammary... by Marisol Báez-Magaña, Alejandra Ochoa-Zarzosa, Nayeli Alva-Murillo, Rafael Salgado-Garciglia, Joel Edmundo López-Meza

“…The Mexican avocado (Persea americana var. drymifolia) is a source of molecules with anti-inflammatory and immunomodulatory properties. …”
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The bile acid chenodeoxycholic acid associates with reduced stroke in humans and mice by Vera F. Monteiro-Cardoso, Xin Yi Yeo, Han-Gyu Bae, David Castano Mayan, Mariam Wehbe, Sejin Lee, Kumar Krishna-K, Seung Hyun Baek, Leon F. Palomera, Lik Hang Wu, Leroy S. Pakkiri, Sangeetha Shanmugam, Kai Ping Sem, Mun Geok Yew, Matthew P. Parsons, Michael R. Hayden, Leonard L.L. Yeo, Vijay K. Sharma, Chester Drum, Elisa A. Liehn, Sreedharan Sajikumar, Svend Davanger, Dong-Gyu Jo, Mark Y.Y. Chan, Benjamin Y.Q. Tan, Sangyong Jung, Roshni R. Singaraja

“…Bile acids are liver-derived signaling molecules that can be found in the brain, but their role there remains largely unknown. …”
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Molecular Mechanisms Underlying Neuroinflammation Intervention with Medicinal Plants: A Critical and Narrative Review of the Current Literature by Sandra Maria Barbalho, Beatriz Leme Boaro, Jéssica da Silva Camarinha Oliveira, Jiří Patočka, Caroline Barbalho Lamas, Masaru Tanaka, Lucas Fornari Laurindo

“…Neuroinflammation is a key factor in the progression of neurodegenerative diseases, driven by the dysregulation of molecular pathways and activation of the brain’s immune system, resulting in the release of pro-inflammatory and oxidative molecules. This chronic inflammation is exacerbated by peripheral leukocyte infiltration into the central nervous system. …”
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Development and Characterisation of a Novel NF-κB Reporter Cell Line for Investigation of Neuroinflammation by Marie-Theres Zeuner, Thomas Vallance, Sakthivel Vaiyapuri, Graeme S. Cottrell, Darius Widera

“…Thus, we developed a stable neural NF-κB-reporter cell line to assess the potency of proinflammatory molecules and peptides, as well as anti-inflammatory pharmaceuticals. …”
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The plastid and mitochondrial genomes of <i>Vavilovia Formosa</i> (Stev.) Fed. and the phylogeny of related legume genera by N. V. Shatskaya, V. S. Bogdanova, O. E. Kosterin, G. V. Vasiliev, A. K. Kimeklis, E. E. Andronov, N. A. Provorov

“…The organellar genomes were circular DNA molecules; the genome of mitochondria was represented by two circular chromosomes. …”
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Effects of Quorum Sensing Systems on Regulatory T Cells in Catheter-Related Pseudomonas aeruginosa Biofilm Infection Rat Models by Lei Feng, Qingqing Xiang, Qing Ai, Zhengli Wang, Yunhui Zhang, Qi Lu

“…Recent studies have found that the QS molecules had complex effects on the host immune systems. …”
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TREM-2 Receptor Expression Increases with 25(OH)D Vitamin Serum Levels in Patients with Pulmonary Sarcoidosis by Maria Bucova, Magda Suchankova, Elena Tibenska, Eva Tedlova, Juraj Demian, Ivan Majer, Helena Novosadova, Miroslav Tedla

“…TREM-1 and TREM-2 molecules are members of the TREM transmembrane glycoproteins. …”
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Adsorption of Mo and O at S-vacancy on ReS2 surface of ReS2/MoTe2 vdW heterointerface by Puneet Kumar Shaw, Jehan Taraporewalla, Sohaib Raza, Akash Kumar, Rimisha Duttagupta, Hafizur Rahaman, Dipankar Saha

“…Therefore, determining the role of defect-induced states and the adsorption of atoms/molecules on surfaces is crucial. Moreover, a detailed theoretical study to determine surface properties and relative energetic stability of the vdW heterostructures is carried out. …”
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