To Probe Full and Partial Activation of Human Peroxisome Proliferator-Activated Receptors by Pan-Agonist Chiglitazar Using Molecular Dynamics Simulations by Holli-Joi Sullivan, Xiaoyan Wang, Shaina Nogle, Siyan Liao, Chun Wu

“…Additionally, our detailed dynamics analyses support that the conformation and dynamics of helix 12 play a critical role in determining the activities of the different types of ligands (e.g., full agonist vs. partial agonist). …”
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Nanomechanical characterization of soft nanomaterial using atomic force microscopy by Chi-Dat Lam, Soyeun Park

“…Additionally, the establishment of physical or chemical bonds during indentation experiments, observable in retract f-d curves, is crucial for the adhesive properties of samples and binding affinity between antibodies (receptors) and antigens (ligands). Chemical force microscopy, single-molecule force spectroscopy, and single-cell force spectroscopy are primary AFM methods that provide a comprehensive view of such properties through retract curve analysis.Furthermore, this paper, structured into key thematic sections, also reviews the exemplary application of AFM across multiple scientific disciplines. …”
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Regulation of reactive oxygen species and the role of mitochondrial apoptotic-related genes in rheumatoid arthritis by Conghui Gao, Chengqiang Zhang, Lixing Wen, Gailian Zhang, Xiaoping Liu, Jie Wang, Luping Cui, Rui Li, Tingting Nie, Jiaoniu Duan, Yingying Guo

“…In addition, biomarkers are expressed in plasmablasts, with CD74 as a key receptor binding multiple ligands. RA biomarkers (MRPS10, EEF2, HSPA9, TUFM) linked to energy & ROS, progression tied to AMPK/mTOR, CD74-MIF crucial. …”
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Understanding the Functional Plasticity in Neural Networks of the Basal Ganglia in Cocaine Use Disorder: A Role for Allosteric Receptor-Receptor Interactions in A2A-D2 Heterorecept... by Dasiel O. Borroto-Escuela, Karolina Wydra, Julia Pintsuk, Manuel Narvaez, Fidel Corrales, Magdalena Zaniewska, Luigi F. Agnati, Rafael Franco, Sergio Tanganelli, Luca Ferraro, Malgorzata Filip, Kjell Fuxe

“…This principle is illustrated by showing how cocaine abuse can alter the adenosine A2AR-dopamine D2R heterocomplexes and their receptor-receptor interactions and hereby induce neural plasticity in the basal ganglia. Studies with A2AR ligands using cocaine self-administration procedures indicate that antagonistic allosteric A2AR-D2R heterocomplexes of the ventral striatopallidal GABA antireward pathway play a significant role in reducing cocaine induced reward, motivation, and cocaine seeking. …”
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A Cornflower Extract Containing N-Feruloylserotonin Reduces Inflammation in Human Skin by Neutralizing CCL17 and CCL22 and Inhibiting COX-2 and 5-LOX by Christophe Carola, Andrew Salazar, Christin Rakers, Franck Himbert, Quoc-Tuan Do, Philippe Bernard, Joerg von Hagen

“…The strategy which was followed consisted in identifying ligands able to neutralize the biological activity of CCL17 and CCL22. …”
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Data-driven exploration of weak coordination microenvironment in solid-state electrolyte for safe and energy-dense batteries by Zhoujie Lao, Kehao Tao, Xiao Xiao, Haotian Qu, Xinru Wu, Zhiyuan Han, Runhua Gao, Jian Wang, Xian Wu, An Chen, Lei Shi, Chengshuai Chang, Yanze Song, Xiangyu Wang, Jinjin Li, Yanfei Zhu, Guangmin Zhou

“…Here, we design a class of Hofmann complexes that offer continuous two-dimensional lithium-ion conduction channels with functional ligands, creating highly conductive electrolytes. …”
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Improving dexamethasone drug loading and efficacy in treating rheumatoid arthritis via liposome: Focusing on inflammation and molecular mechanisms by Mohammad Yasin Zamanian, Hamidreza Zafari, Maria K. Osminina, Alla A. Skakodub, Raed Fanoukh Aboqader Al‐Aouadi, Maryam Golmohammadi, Nikta Nikbakht, Iman Fatemi

“…Liposomal delivery of DEX, particularly when liposomes are surface‐modified with targeting ligands like peptides or sialic acid, can improve drug efficacy by enhancing its distribution to inflamed joints and minimizing toxicity. …”
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The molecular receptor NKBB enhances the persistence and anti-hepatocellular carcinoma activity of GPC3 CAR-T cells by Minghao Sui, Tiantian Liu, Xuanli Song, Ji Li, Han Ding, Yuqian Liu, Xinyu Wang, Huimin Liu, Yuchan Xue, Jianni Qi, Miao Zhang, Songbo Zhao, Qiang Zhu

“…Therefore, to treat HCC more effectively, we connected the molecular receptor NKBB to a second-generation glypican-3 (GPC3) CAR to construct GC3328z-NKBB CAR-T cells, which have double specific targets of GPC3 and NKG2DLs (natural killer group 2, member D ligands), dual co-stimulation of CD28 and 41BB, and a single CD3ζ chain. …”
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Chronic GIPR agonism results in pancreatic islet GIPR functional desensitisation by Iona Davies, Alice E. Adriaenssens, William R. Scott, David Carling, Kevin G. Murphy, James S. Minnion, Stephen R. Bloom, Ben Jones, Tricia M-M. Tan

“…Conclusions: Although GIP108 chronic treatment improved glucose tolerance, it also resulted in partial desensitisation of the pancreatic islet GIPR. This suggests that ligands with reduced desensitisation tendency might lead to improved in vivo efficacy. …”
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Single cell RNA sequencing reveals human tooth type identity and guides in vitro hiPSC derived odontoblast differentiation (iOB) by Sesha Hanson-Drury, Sesha Hanson-Drury, Sesha Hanson-Drury, Anjali P. Patni, Anjali P. Patni, Anjali P. Patni, Anjali P. Patni, Deborah L. Lee, Deborah L. Lee, Deborah L. Lee, Ammar Alghadeer, Ammar Alghadeer, Ammar Alghadeer, Ammar Alghadeer, Yan Ting Zhao, Yan Ting Zhao, Yan Ting Zhao, Devon Duron Ehnes, Devon Duron Ehnes, Devon Duron Ehnes, Vivian N. Vo, Vivian N. Vo, Vivian N. Vo, Sydney Y. Kim, Sydney Y. Kim, Druthi Jithendra, Druthi Jithendra, Ashish Phal, Ashish Phal, Ashish Phal, Natasha I. Edman, Natasha I. Edman, Natasha I. Edman, Natasha I. Edman, Thomas Schlichthaerle, Thomas Schlichthaerle, David Baker, David Baker, David Baker, Jessica E. Young, Jessica E. Young, Julie Mathieu, Julie Mathieu, Hannele Ruohola-Baker, Hannele Ruohola-Baker, Hannele Ruohola-Baker, Hannele Ruohola-Baker, Hannele Ruohola-Baker

“…Dental ectomesenchyme derived cells are the primary source of signaling ligands responsible for both enamel knot and ameloblast development.…”
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Discovering broad-spectrum inhibitors for SARS-CoV-2 variants: a cheminformatics and biophysical approach targeting the main protease by Safar M. Alqahtani

“…Furthermore, the binding energies were revalidated using the water swap method that considers the role of the water molecules in bridging the ligands to the enzyme active site residues. The compounds also revealed good ADMET properties and followed all major rules of drug-likeness. …”
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Baicalein Restores the Balance of Th17/Treg Cells via Aryl Hydrocarbon Receptor to Attenuate Colitis by Chang Liu, Yanyang Li, Yanping Chen, Shaowei Huang, Xiaojing Wang, Shuang Luo, Yulin Su, Lian Zhou, Xia Luo

“…As one of the ligands of aryl hydrocarbon receptor (AhR), baicalein, isolated from Scutellaria baicalensis Georgi, has been proved to exert potential therapeutic effects on ulcerative colitis (UC), but its therapeutic mechanism remains obscure. …”
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Differential Regulation of NK Cell Receptors in Acute Lymphoblastic Leukemia by Le Jie Lee, Norfarazieda Hassan, Siti Zuleha Idris, Suresh Kumar Subbiah, Heng Fong Seow, Norhafizah Mohtaruddin, Kian Meng Chang, Raudhawati Osman, Hishamshah Mohd Ibrahim, Sheila Nathan, Maha Abdullah

“…Targeted next-generation sequencing was conducted on 62 activating/inhibitory receptors, ligands, effector, and exhaustion molecules on T-ALL (6 males) and normal controls (NC) (4 males and 4 females). …”
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Reducing neonatal Fc receptor binding enhances clearance and brain-to-blood ratio of TfR-delivered bispecific amyloid-β antibody by Eva Schlein, Ken G. Andersson, Tiffany Dallas, Stina Syvänen, Dag Sehlin

“…Antibody-based positron emission tomography (PET) ligands are well suited for this purpose as they can be directed toward the same target as the therapeutic antibody. …”
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Interaction of norsecurinine-type monomeric and dimeric alkaloids with α-tubulin: a molecular docking study by Gérard Vergoten, Christian Bailly

“…For the first time, dimeric alkaloids including two C-C connected norsecurinine units are characterized as tubulin ligands. The study contributes to a better understanding of the mechanism of action of Flueggea alkaloids and should help the design of anticancer analogues targeting the pironetin site of α-tubulin.…”
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Unveiling molecular insights: in silico exploration of TLR4 antagonist for management of dry eye syndrome by Kothandan Sudhakar, Neeru Dugar, Srikanth Jupudi, Ravichandran Ashwin, Kuppusamy Gowthamarajan

“…Celastrol, lumacaftor and nilotinib were selected for further molecular dynamics studies for a deeper understanding of molecular systems consisting of protein and ligands by using the Desmond module of the Schrodinger Suite.Results The docking results revealed that the compounds are having binding affinity in the range of −5.1 to −8.78 based on the binding affinity and three-dimensional interactions celastrol, lumacaftor and nilotinib were further studied for their activity by molecular dynamics. …”
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High-Affinity Anti-VISTA Antibody Protects against Sepsis by Inhibition of T Lymphocyte Apoptosis and Suppression of the Inflammatory Response by Tianzhu Tao, Lulong Bo, Teng Li, Longbao Shi, Hui Zhang, Bo Ye, Yuhai Xu, Qingqing Ma, Xiaoming Deng, Guorong Zhang

“…B7 family members and ligands have been identified as critical checkpoints in orchestrating the immune response during sepsis. …”
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Metabolically activated and highly polyfunctional intratumoral VISTA+ regulatory B cells are associated with tumor recurrence in early-stage NSCLC by Domenico Lo Tartaro, Beatrice Aramini, Valentina Masciale, Nikolaos Paschalidis, Francesco Demetrio Lofaro, Anita Neroni, Rebecca Borella, Elena Santacroce, Alin Liviu Ciobanu, Anna Valeria Samarelli, Federica Boraldi, Daniela Quaglino, Alessandra Dubini, Michele Gaudio, Gloria Manzotti, Francesca Reggiani, Federica Torricelli, Alessia Ciarrocchi, Antonino Neri, Federica Bertolini, Massimo Dominici, Pier Luigi Filosso, Franco Stella, Lara Gibellini, Sara De Biasi, Andrea Cossarizza

“…The computational analysis of intercellular communications that links ligands to target genes, performed by NicheNet, predicted B-T interactions via VISTA-PSGL-1 axis. …”
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Aptamer-Conjugated Multi-Quantum Dot-Embedded Silica Nanoparticles for Lateral Flow Immunoassay by Kwanghee Yoo, Hye-Seong Cho, Jaehi Kim, Minsup Shin, Jun-Sik Chu, Sohyeon Jang, Han-Joo Bae, Heung Su Jung, Homan Kang, Bong-Hyun Jun

“…Lateral flow immunoassays (LFIAs) are widely used for their low cost, simplicity, and rapid results; however, enhancing their reliability requires the meticulous selection of ligands and nanoparticles (NPs). SiO₂@QD@SiO₂ (QD²) nanoparticles, which consist of quantum dots (QDs) embedded in a silica (SiO₂) core and surrounded by an outer SiO₂ shell, exhibit significantly higher fluorescence intensity (FI) compared to single QDs. …”
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Resveratrol-Based Carbamates as Selective Butyrylcholinesterase Inhibitors: Design, Synthesis, Computational Study and Biometal Complexation Capability by Maja Sviben, Ilijana Odak, Danijela Barić, Milena Mlakić, Ottó Horváth, Lajos Fodor, Sunčica Roca, Ivana Šagud, Irena Škorić

“…Molecular docking of the most promising inhibitor candidates, compounds <b>1</b> and <b>7</b>, revealed that stabilizing interactions between the active site residues of BChE and the ligands involve π-stacking, alkyl-π interactions, and, when the carbamate orientation allows, H-bond formation. …”
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