Improving the N-glycosylation occupancy of plant-produced IgG1 by engineering the amino acid environment at Asn297 by Kathrin Göritzer, Valentina Ruocco, Ulrike Vavra, Shiva Izadi, Omayra C. Bolaños-Martínez, Thareeya Phetphoung, Nuttapat Pisuttinusart, Waranyoo Phoolcharoen, Richard Strasser

“…Furthermore, functional assays showed that antigen binding and human hFcRn interaction were unaffected, while FcγRIIIa binding affinity increased. …”
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Identification of Marine Compounds Inhibiting NF-κBInducing Kinase Through Molecular Docking and Molecular Dynamics Simulations by Muhammad Yasir, Jinyoung Park, Eun-Taek Han, Jin-Hee Han, Won Sun Park, Jongseon Choe, Wanjoo Chun

“…By screening a library of bioactive marine compounds, we identified several promising candidates with strong binding affinity to the NIK active site. By continuously narrowing down the library at each step, we found that the compounds santacruzamate A, xanthosine, and actinonine stand out at each step by demonstrating compact binding, highly stable interactions, and the most favorable free energy profiles, indicating their potential as effective NIK inhibitors. …”
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AI-enhanced profiling of phage-display-identified anti-TIM3 and anti-TIGIT novel antibodies by Astrid Musnier, Yannick Corde, Adrien Verdier, Mélanie Cortes, Jean-René Pallandre, Christophe Dumet, Adeline Bouard, AbdelRaouf Keskes, Zakaria Omahdi, Vincent Puard, Anne Poupon, Thomas Bourquard

“…The predicted epitopes allowed us to anticipate a competition with TIM3 and TIGIT binding partners, and to infer the antagonistic functions expected from these antibodies. …”
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Effect of Using Oleogel on the Physicochemical Properties, Sensory Characteristics, and Fatty Acid Composition of Meat Patties by Aidyn Igenbayev, Mukhtarbek Kakimov, Maigul Mursalykova, Bartosz Wieczorek, Bożena Gajdzik, Radosław Wolniak, Damian Dzienniak, Michał Bembenek

“…Overall, the substitution of pork fat with oleogel did not adversely affect key physicochemical properties, such as pH and moisture-binding capacity, or the structural integrity of the beef patties. …”
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Investigation of biomarkers and associated molecular mechanism shared between colorectal cancer and lung adenocarcinoma by Kun Gao, Lianyang Yu, Lei Wang, Linlu Gao, Tingting Li, Jing Sun

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CHIRP-Seq: FOXP2 transcriptional targets in zebra finch brain include numerous speech and language-related genes by Gregory L. Gedman, Todd H. Kimball, Lee L. Atkinson, Daniella Factor, Gabriela Vojtova, Madza Farias-Virgens, Timothy F. Wright, Stephanie A. White

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Dapagliflozin in Chronic Kidney Disease: Insights from Network Pharmacology and Molecular Docking Simulation by Atthaphong Phongphithakchai, Aman Tedasen, Ratana Netphakdee, Rattana Leelawattana, Thatsaphan Srithongkul, Sukit Raksasuk, Jason C. Huang, Moragot Chatatikun

“…Molecular docking confirmed strong binding affinities with EGFR (−8.42 kcal/mol), GSK3β (−7.70 kcal/mol), and IL-6 (−6.83 kcal/mol). …”
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Natural AI-based drug designing by modification of ascorbic acid and curcumin to combat buprofezin toxicity by using molecular dynamics study by Haleema Sadia, Irfan Zia Qureshi, Muhammad Naveed, Tariq Aziz, Metab Alharbi, Abdullah F. Alasmari, Thamer H. Albekairi

“…Docking experiments disclosed that the interaction of CAT with the ascorbic acid AI-derived drug demonstrated a binding energy of -7.1 kcal/mol, signifying a robust interaction, while the complex of IL-1B with the curcumin AI-derived drug exhibited a binding energy of -7.3 kcal/mol. …”
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The Use of Biomass-Derived Chitosan for Colorimetric pH Detection by Ezekiel Edward Nettey-Oppong, Riaz Muhammad, Dohyun Yoo, Sun-Hyeop Hwang, Ahmed Ali, Chacha Saidi Mwita, Hyun-Woo Jeong, Seong-Wan Kim, Young-Seek Seok, Seung Ho Choi

“…Mechanistic investigations using Fourier-transform infrared spectroscopy (FTIR) and molecular modeling identified electrostatic and hydrophobic forces as key factors in anthocyanin binding to the chitosan matrix. Molecular modeling further revealed a minimal binding energy of −3 kcal/mol and an RMSD of 0 Å, indicating a strong interaction stability. …”
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VIRAL INFECTION AND LIPOPOLYSACCHARIDE: PATHOLOGICAL AXIS "LUNGS-JOINTS" AS A POTENTIAL CAUSE OF OSTEONECROSIS by Constantin Viktorovich Bubley, Vladimir Alexievich Beloglazov, Igor Anatolievich Yatskov, Anna Anatolyevna Zayaeva

“…These data emphasize the importance of an integrated approach in the study and treatment of osteonecrosis, taking into account both infectious and inflammatory components of the process.…”
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Production of monoclonal antibodies against botulinum neurotoxin in Nicotiana benthamiana by Kornchanok Sangprasat, Christine Joy I. Bulaon, Kaewta Rattanapisit, Theerakarn Srisangsung, Perawat Jirarojwattana, Apidsada Wongwatanasin, Waranyoo Phoolcharoen

“…At the same time, the binding specificities of two other mAbs were determined: C25 for mBoNT/A1 and M2 for ciBoNT/B1. …”
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Dual inhibition of FAS and HAS2/3 by 4-MU in Realgar-Coptis chinensis unveils a metabolic checkpoint for liver cancer therapy by Songtao Wu, Yingying Wang, Denghui Deng, Guohua Zheng, Hanxiang Mei, Cong Wang, Xiang Zheng, Chun Gui, Fei Liao, Meixian Xiang

“…Molecular docking, molecular dynamics simulations, and microscale thermophoresis (MST) validated the binding affinity between key compounds and core targets. …”
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Trans-Cannabitriol as a Dual Inhibition of MPOX Adhesion Receptors L1R and E8L: An In Silico Perspective by Hanane Abbou, Razana Zegrari, Zainab Gaouzi, Lahcen Belyamani, Ilhame Bourais, Rachid Eljaoudi

“…The trans-CBT demonstrated strong binding affinities for L1R (−10.76 kcal/mol) and E8L (−8.531 kcal/mol), with weaker interactions observed for H3L (−5.739 kcal/mol). …”
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Molecular Docking of Key Compounds from Acacia Honey and <i>Nigella sativa</i> Oil and Experimental Validation for Colitis Treatment in Albino Mice by Mehwish Bibi, Irfan Baboo, Hamid Majeed, Santosh Kumar, Maximilian Lackner

“…Molecular docking studies were conducted to identify the binding affinities and interaction mechanisms between the bioactive compounds in AH and NSO and proteins implicated in colitis, such as those involved in inflammation and oxidative stress pathways. …”
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Carotenoid Interactions with PCSK9: Exploring Novel Cholesterol-Lowering Strategies by Alessandro Medoro, Giovanni Scapagnini, Simone Brogi, Tassadaq Hussain Jafar, Truong Tan Trung, Luciano Saso, Sergio Davinelli

“…<b>Methods</b>/<b>Results</b>: We screened the pharmacophore fit score of 27 carotenoids with PCSK9 and identified 14 that were analyzed for binding affinity and molecular interactions. Astaxanthin, siphonaxanthin, and prasinoxanthin were identified as the top candidates, demonstrating strong binding affinity (−10.5, −10.3, and −9.4 Kcal/mol, respectively) and stable interactions with several known key residues within the active site of PCSK9, including Pro-331, Arg-357, Cys-358, Val-359, Asp-360, Ile-416, Leu-436, Thr-437, Pro-438, Leu-440, Arg-458, Val-460, Trp-461, Arg-476, Cys-477, Ala-478, Ala-649, Val-650, and Asp-651. …”
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Harnessing Natural Product Compounds to Target Dormancy Survival Regulator (DosR) in Latent Tuberculosis Infection (LTBI): An In Silico Strategy Against Dormancy by Mandeep Chouhan, Mukesh Kumar, Vivek Dhar Dwivedi, Vivek Kumar Kashyap, Himanshu Narayan Singh, Sanjay Kumar

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Spleen proteome profile reveals immune responses induced by dietary spray-dried plasma against Salmonella Enteritidis infection in broiler chicks by Tunde E. Ogundare, Theresa M. Casey, Uma K. Aryal, Yewande O. Fasina

“…The proteins that increased (87) were associated with RNA binding, ATP binding, mRNA splicing, and protein phosphorylation. …”
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Proteomic profiling reveals important regulators of photosynthate accumulation in wheat leaves during grain development by Wanting Li, Xiangrui Liu, Zeyu Shi, Yifei Wang, Wenqiang Tang, Huimin Ren, Baowen Zhang

“…Weighted gene co-expression network analysis (WGCNA) identified significant enrichment of photosynthesis-related proteins, carbohydrate metabolic enzymes, and cytokinin metabolic enzymes during the early grain filling stage (10–15 DAA). Integrated co-expression clustering and multiple expectation maximizations for motif elicitation (MEME) analysis revealed strong enrichment of Dof (DNA binding with one finger) transcription factor binding cis-elements in the promoters of carbohydrate synthesis-related genes. …”
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Bioinformatics-Based Management of Vitellogenin-like Protein’s Role in Pathogen Defense in <i>Nicotiana tabacum</i> L. by Hanan Maoz, Amir Elalouf, Amit Yaniv Rosenfeld

“…NMA, MDS, and post-simulation analyses revealed that PGN exhibits more substantial binding stability and more extensive interactions with VLP than β-glucan. …”
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Effects of proteasome inhibitor MG-132 on the parasite Schistosoma mansoni. by Enyara R Morais, Katia C Oliveira, Renato G de Paula, Alice M M Ornelas, Érika B C Moreira, Fernanda Rafacho Badoco, Lizandra G Magalhães, Sergio Verjovski-Almeida, Vanderlei Rodrigues

“…Interestingly, genes that encode proteins related to potassium ion binding, integral membrane component, ATPase and potassium channel activities were significantly down-regulated, whereas genes encoding proteins related to actin binding and microtubule motor activity were significantly up-regulated. …”
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