Computational design of drug candidates for influenza A virus subtype H1N1 by inhibiting the viral neuraminidase-1 enzyme by Tambunan Usman Sumo Friend, Parikesit Arli Aditya, Dephinto Yonaniko, Sipahutar Feimmy Ruth Pratiwi

“…These values are much lower than those of the standards, and it means that both ligands are more accessible to ligand-receptor binding. …”
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Staphylococcal SSL5 Binding to Human Leukemia Cells Inhibits Cell Adhesion to Endothelial Cells and Platelets by Annemiek M. E. Walenkamp, Jovanka Bestebroer, Ingrid G. J. Boer, Roeline Kruizinga, Henk M. Verheul, Jos A. G. van Strijp, Carla J. C. de Haas

“…Staphylococcal superantigen-like 5 (SSL5) was recently described to bind P-selectin glycoprotein ligand-1 (PSGL-1) on leukocytes and to inhibit neutrophil rolling on a P-selectin surface. …”
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Structural and Functional Annotation of Hypothetical Proteins of O139 by Md. Saiful Islam, Shah Md. Shahik, Md. Sohel, Noman I. A. Patwary, Md. Anayet Hasan

“…Various computational tools and databases have been used to determine domain family, protein-protein interaction, solubility of protein, ligand binding sites etc. The three dimensional structure of two proteins were modeled and their ligand binding sites were identified. …”
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Obesity Related Alterations in Plasma Cytokines and Metabolic Hormones in Chimpanzees by Pramod Nehete, Elizabeth R. Magden, Bharti Nehete, Patrick W. Hanley, Christian R. Abee

“…Chemokine, eotaxin, fractalkine, and monocyte chemoattractant protein-1 were higher in lean compared to obese chimpanzees, while chemokine ligand 8 increased in plasma of obese chimpanzees. …”
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Organotin Compound Derived from 3-Hydroxy-2-formylpyridine Semicarbazone: Synthesis, Crystal Structure, and Antiproliferative Activity by Joanna Wiecek, Dimitra Kovala-Demertzi, Zbigniew Ciunik, Joanna Wietrzyk, Maria Zervou, Mavroudis A. Demertzis

“…The doubly deprotonated ligand is coordinated to the tin atom through the enolic-oxygen, the azomethine-nitrogen, and phenolic-oxygen, and so acts as an anionic tridentate ligand with the ONO donors. …”
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Forskolin Stimulates Estrogen Receptor (ER) α Transcriptional Activity and Protects ER from Degradation by Distinct Mechanisms by Houng-Wei Tsai, Vicky Y. Lin, Margaret A. Shupnik

“…Forskolin also protects liganded ERα from degradation. In the current study, we first examined ERα and ERβ transcriptional activity in ER-negative HT22 cells and found that forskolin stimulated ERα-, but not ERβ-dependent transcription, through the ligand-binding domain (LBD). …”
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Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer’s Disorders Using Molecular Docking and Molecular Dynamics Simulation by Chandrabhan Seniya, Ghulam Jilani Khan, Kuldeep Uchadia

“…The study provides evidence for consideration of C28H34N2O6 as a valuable small ligand molecule in treatment and prevention of AD associated disorders and further in vitro and in vivo investigations may prove its therapeutic potential.…”
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Microwave Synthesis, Spectral, Thermal and Electrical Properties of Some Metal Complexes Involving 5-Bromosalicylaldehyde by Rajendra K. Jain, A. P. Mishra, D. K. Mishra, S. K. Gupta

“…Analytical data revealed that all the complexes exhibited 1:1 (metal: ligand) ratio. FAB-mass and thermal data show degradation pattern of the complexes. …”
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New Steroid–Alkaloid Bioconjugates as Potential Bioactive Compounds: Synthesis, Spectroscopic and In Silico Study by Hanna Koenig, Karolina Babijczuk, Kamil Ostrowski, Damian Nowak, Tomasz Pospieszny, Beata Jasiewicz

“…The molecular docking results for the 1HWK and 6RZ4 protein domains indicate that the selected bioconjugates exhibit affinities comparable to or lower than those of atorvastatin (−9.6 kcal/mol), the reference ligand in cholesterol-lowering. Conversely, the affinities of the selected bioconjugates are higher than those of caffeine (−6.2 kcal/mol), which is used as the reference ligand for analeptic drugs.…”
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Thermodynamic Studies of [M+2] Complexes with 3-Hydroxy-2-(3-(4-Nitrobenzoyl) Thiouriedo) Propanoic Acid by Basima M. Sarhan, Dr. Taghreed Baqer Alwan, Wedyan Mansoor Obaid, Abbas M. Abbas, Mohamed Abdel-Raheem Ali Abdel-Raheem

“…The dissociation process is exothermic; that ligand's transition metal complex has been synthesized and then characterized through the UV-Vis spectra, FTIR, conductivity measures, and magnetic susceptibility. …”
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Spectral Investigation and In Vitro Antibacterial Evaluation of NiII and CuII Complexes of Schiff Base Derived from Amoxicillin and α-Formylthiophene (αft) by Narendra Kumar Chaudhary, Parashuram Mishra

“…Two new metal complexes of general formula M(Haαft)2 [M = NiII and CuII] of asymmetrical Schiff base ligand (HL = Haαft) derived from amoxicillin and α-formylthiophene have been prepared and characterized by various physicochemical and spectral techniques. …”
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A novel biomarker of COVID-19: MMP8 emerged by integrated bulk RNAseq and single-cell sequencing by Zhenguo Liu, Shunda Wang

“…MMP8-positive myelocytes interacted with other cell types through RETN-TLR4 and RETN-CAP1 ligand-receptor patterns. These findings emphasize the important role of MMP8 in COVID-19 progression and provide a potential therapeutic target for COVID-19 patients.…”
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Metabolic Derangements Contribute to Reduced sRAGE Isoforms in Subjects with Alzheimer’s Disease by Kelly N. Z. Fuller, Edwin R. Miranda, John P. Thyfault, Jill K. Morris, Jacob M. Haus

“…Although there is evidence for metabolic dysfunction and chronic inflammation in Alzheimer’s disease (AD), circulating levels of soluble receptor for advanced glycation end products (sRAGE) and the receptor for advanced glycation end products (RAGE) ligand S100B have not been characterized. sRAGE is an important mediator in disease as it can act as a ligand decoy for RAGE and attenuate downstream inflammatory signaling. …”
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Peran Kemokin dalam Patogenesis Rinitis Alergi by Effy Huriyati, Bestari J Budiman, Ricki Octiza

“…CCR3 is the receptor with the highes level could be found on eosinophil cell membran and eotaxin was the spesific ligand to itt. Conclusion: Eotaxin and CCR3 are the major factor in pathogenesis of allergic rhinitis which is involve eosinophil.…”
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Elucidating the Mechanism of Action of Umami-Enhancing Peptides Derived from Chicken Based on Molecular Simulation by ZHANG Jingcheng, HE Wei, LIANG Li, ZHANG Yuyu

“…Statistics of hydrogen bonds indicated that the addition of umami-enhancing peptides to the ligand system enhanced the hydrogen bonding interaction and consequently binding intensity between ligands and receptors. …”
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Synthesis of an Azido-Substituted 8-Membered Ring Laddersiloxane and Its Application in Catalysis by Yujia Liu, Niyaz Yagafarov, Koki Shimamura, Nobuhiro Takeda, Masafumi Unno, Armelle Ouali

“…Reacting this compound with 2-ethynylpyridine via click chemistry yielded a multidentate ligand containing four 2-triazole-pyridyl moieties. …”
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Pharmacological Evaluation of Naproxen Metal Complexes on Antinociceptive, Anxiolytic, CNS Depressant, and Hypoglycemic Properties by Md. Sharif Hasan, Narhari Das, Zobaer Al Mahmud, S. M. Abdur Rahman

“…The present study demonstrated that copper, cobalt, and zinc complexes possess higher antinociceptive, anxiolytic, CNS depressant, and hypoglycemic properties than the parent ligand.…”
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HBV and HBsAg strongly reshape the phenotype, function, and metabolism of DCs according to patients’ clinical stage by Lucile Dumolard, Theophile Gerster, Florent Chuffart, Thomas Decaens, Marie-Noelle Hilleret, Sylvie Larrat, Philippe Saas, Evelyne Jouvin-Marche, David Durantel, Patrice N. Marche, Zuzana Macek Jilkova, Caroline Aspord

“…HBsAg exposure favored DC activation while drastically altering TRAIL expression in response to toll-like receptor ligand and increasing the secretion of cytokines/chemokines involved in immune tolerance. …”
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AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonist by Rahul Brahma, Sunghyun Moon, Jae-Min Shin, Kwang-Hwi Cho

“…This advancement moves beyond conventional models focusing solely on binding affinity, providing a more comprehensive understanding of ligand-receptor interactions. At the core of our model lies the Bi-Directional Multi-Head Cross-Attention (BMCA) module, a novel architecture that captures forward and backward contextual embeddings of protein and ligand features. …”
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Growth Modeling of the Maternal Cytokine Milieu throughout Normal Pregnancy: Macrophage-Derived Chemokine Decreases as Inflammation/Counterregulation Increases by Shernan G. Holtan, Yiyi Chen, Rajani Kaimal, Douglas J. Creedon, Elizabeth Ann L. Enninga, Wendy K. Nevala, Svetomir N. Markovic

“…IL-1β, IL-6, IL-8, IL-12p70, IL-13, IL-15, IP-10, and FLT3-ligand increase as a function of gestational weeks, and IFNα2, IL-1ra, IL-3, IL-9, IL-12p40, and soluble CD40 ligand increase as a function of trimester. …”
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