The efficient prediction of inflammatory osteolysis caused by polylactic acid through network toxicology and molecular docking strategy by Zichen Cui, Tian He, Shuo Zhang

“…Moreover, the results of molecular docking confirmed that PLA displayed a strong binding ability with the core targets and formed stable binding. …”
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An evolutionary analysis of antigen processing and presentation across different timescales reveals pervasive selection. by Diego Forni, Rachele Cagliani, Claudia Tresoldi, Uberto Pozzoli, Luca De Gioia, Giulia Filippi, Stefania Riva, Giorgia Menozzi, Marta Colleoni, Mara Biasin, Sergio Lo Caputo, Francesco Mazzotta, Giacomo P Comi, Nereo Bresolin, Mario Clerici, Manuela Sironi

“…Several positively selected sites involve positions of fundamental importance to the protein function (e.g. the TAP1 peptide-binding domains, the sugar binding interface of langerin, and the CD1D trafficking signal region). …”
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Computational analysis of missense mutations in squalene epoxidase associated with terbinafine resistance in clinically reported dermatophytes by Hussein R. Mahmood, Masoomeh Shams-Ghahfarokhi, Mehdi Razzaghi-Abyaneh

“…Molecular docking identified altered binding pockets in four variants F397L, L437P, F415V, and Y394N compared to the wild-type, potentially compromising terbinafine binding. …”
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In-silico screening and analysis of missense SNPs in human CYP3A4/5 affecting drug-enzyme interactions of FDA-approved COVID-19 antiviral drugs by Amro A. Abdelazim, Mohamad Maged, Ahmed I. Abdelmaksoud, Sameh E. Hassanein

“…These mutants potentially affect drug-enzyme binding and hence may alter therapeutic response. …”
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Phytogenic synthesis and antimicrobial activity of ZnO nano bow ties (ZnO NBTs): An experimental and computational study by Manju Manuel, M. Gomathy, Manikantan Pappuswamy, Krishna Bisetty, Suvardhan Kanchi

“…Monte Carlo simulations revealed that the cone-shaped ZnO NBTs bind strongly to the active sites of the target proteins with binding affinities of −36.20 and −32.14 kcal/mol for Klebsiella pneumoniae and Escherichia coli respectively, which correlates with their activities. …”
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Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study by Sehar Aslam, Muhammad Qasim, Fatima Noor, Muhammad Shahid, Usman Ali Ashfaq, Samman Munir, Helal F. Al-Harthi, Mutaib M. Mashraqi, Umair Waqas, Mohsin Khurshid

“…Molecular docking tests were performed to validate the findings and assess the binding affinity of the metabolites with their target proteins. …”
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Molecular mechanisms of polychlorinated biphenyls in breast cancer: insights from network toxicology and molecular docking approaches by Xiaoyu Yang, Wenlong Liang, Zhenchu Feng, Guangyan Li, Xi Chen, Jianguo Zhang

“…Molecular docking predicted binding affinities of PCBs congeners with key targets. …”
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Duplication of the autism-related gene Chd8 leads to behavioral hyperactivity and neurodevelopmental defects in mice by Atsuki Kawamura, Kazuki Fujii, Kota Tamada, Yoshifumi Abe, Kenta Nitahara, Tomoya Iwasaki, Sho Yagishita, Kenji F. Tanaka, Toru Takumi, Keizo Takao, Masaaki Nishiyama

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123I-FP-CIT brain SPECT (DaTSCAN) imaging in the diagnosis of patients with movement disorders: First results by Jauković Ljiljana, Ilić Tihomir V., Dopuđa Marija, Ajdinović Boris

“…Visual interpretation was based on striatal uptake, left to right asymmetry and substructures most affected. The ratio of binding for the entire striatum, caudate and putamen to nonspecific binding in occipital cortex was calculated. …”
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The FinR-regulated essential gene fprA, encoding ferredoxin NADP+ reductase: Roles in superoxide-mediated stress protection and virulence of Pseudomonas aeruginosa. by Siriwan Boonma, Adisak Romsang, Jintana Duang-Nkern, Sopapan Atichartpongkul, Wachareeporn Trinachartvanit, Paiboon Vattanaviboon, Skorn Mongkolsuk

“…Under uninduced conditions, binding of FinR repressed its own transcription but had no effect on fprA expression. …”
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Nonclinical Similarity of the Biosimilar Candidate ABP 938 with Aflibercept Reference Product by Neungseon Seo, Scott Kuhns, Dina A. Andrews, Alexander Colbert, Vincent Chow, Jennifer Liu

“…Methods In vitro target-binding kinetics and affinity for VEGF-A and placental growth factor (PIGF) isoforms were evaluated using surface plasmon resonance (SPR). …”
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In silico and In vitro profiling of lariciresinol against PLA2: A molecular approach to regulate inflammation by Fathimath Henna, G. Arun Kumar, Amritha Thaikkad, T.K. Varun, E. Jayadevi Variyar, Rajesh Raju, J. Abhithaj

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Somatic mutations and DNA methylation identify a subgroup of poor prognosis within lower‐risk myelodysplastic syndromes by David Rombaut, Sarah Sandmann, Tobias Tekath, Simon Crouch, Aniek O. deGraaf, Alexandra Smith, Daniel Painter, Olivier Kosmider, Magnus Tobiasson, Andreas Lennartsson, Bert A. van derReijden, Sophie Park, Maud D'Aveni, Borhane Slama, Emmanuelle Clappier, Pierre Fenaux, Lionel Adès, Arjan van deLoosdrecht, Saskia Langemeijer, Argiris Symeonidis, Jaroslav Čermák, Claude Preudhomme, Aleksandar Savic, Ulrich Germing, Reinhard Stauder, David Bowen, Corine vanMarrewijk, Elsa Bernard, Theo deWitte, Julian Varghese, Eva Hellström‐Lindberg, Martin Dugas, Joost Martens, Luca Malcovati, Joop H. Jansen, Michaela Fontenay, MDS‐RIGHT consortium

“…All clusters shared hypermethylated enhancers enriched in binding motifs for ETS and bZIP (C/EBP) transcription factor families, involved in the regulation of myeloid cell differentiation. …”
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NHSL3 controls single and collective cell migration through two distinct mechanisms by Nikita M. Novikov, Jinmei Gao, Artem I. Fokin, Nathalie Rocques, Giovanni Chiappetta, Karina D. Rysenkova, Diego Javier Zea, Anna Polesskaya, Joelle Vinh, Raphael Guerois, Alexis M. Gautreau

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Cholinergic neurotransmission in the anterior cingulate cortex is associated with cognitive performance in healthy older adults: Baseline characteristics of the Improving Neurologi... by Ana de Figueiredo Pelegrino, Mouna Attarha, Paule-Joanne Toussaint, Lydia Ouellet, Sarah-Jane Grant, Thomas Van Vleet, Etienne de Villers-Sidani

“…Notably, FEOBV binding in the anterior cingulate cortex was positively correlated with cognitive performance on the NIH EXAMINER Executive Composite Score. …”
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GWAS Combined with Meta-Analysis Identifies OsDREB6 as a Regulator of Coleoptile Elongation Under Anaerobic Conditions in Rice by Kai Liu, Dandan Li, Jinrui Li, Shiyi Chen, Di Zhu, Min Guo, Jing Yang, Xueyu Liang, Jiafeng Wang, Hui Wang, Chun Chen, Tao Guo, Yongzhu Liu

“…Notably, our analysis pinpointed the dehydration-responsive element-binding protein 6 gene, OsDREB6, as a potential regulator impacting anaerobic germination in rice seeds. …”
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Genetic diversity and natural selection of Plasmodium falciparum Pf41 vaccine candidate in clinical isolates from Senegal by Rokhaya Sané, Babacar Souleymane Sambe, Aissatou Diagne, Joseph Faye, Fatoumata Diene Sarr, Serigne Ousmane Mbacké Diaw, Ibrahima Sarr, Arona Sabène Diatta, Hélène Ataume Mawounge Diatta, Papa Mbacké Sembène, Inès Vigan-Womas, Aissatou Toure-Balde, Faith Osier, Makhtar Niang

“…Further monitoring of allelic variants on larger and diverse sets of samples would justify the rational for functional assays and Pf41 integration in a multicomponent vaccine.…”
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Identification and validation of mitophagy-related genes in acute myocardial infarction and ischemic cardiomyopathy and study of immune mechanisms across different risk groups by Ying Hao, Ying Hao, RuiLin Li, RuiLin Li, ChengHui Fan, ChengHui Fan, Yang Gao, Xia Hou, Wei wen, YunLi Shen

“…Subgroup analyses included functional enrichment and immune infiltration analysis, along with protein domain predictions and the integration of regulatory networks involving Transcription Factors, miRNAs, and RNA-Binding Proteins, leading to drug target identification. …”
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Biomimetic Aggregation-Induced Emission Luminogens Mediated Effective Phototherapy and Immune Checkpoint Blockade for the Synergistic Treatment of Lung Cancer by Yang L, Wei M, Deng X, He L, Lin Y, Lin X, Zhou D, Li M, Qin A, Zhang L, Ouyang Z

“…The prepared TB improved the tumor accumulation of AIEgen by PD-1/PD-L1 recognition on the CD8+ T and LLC cell membranes, respectively.Results: The prepared TB showed improved binding efficiency, photothermal effects, and ROS generation ability to kill the lung cancer cells. …”
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The RBM39 degrader indisulam inhibits acute megakaryoblastic leukemia by altering the alternative splicing of ZMYND8 by Ying Yang, Zhiheng Li, Yang Yang, Peifang Xiao, Zhixu He, Zimu Zhang, Yizhen Li, Lei Shi, Xiaodong Wang, Yanfang Tao, Junjie Fan, Fenli Zhang, Chunxia Yang, Fahua Yao, Tongting Ji, Yongping Zhang, Bi Zhou, Juanjuan Yu, Ailian Guo, Zhongling Wei, Wanyan Jiao, Yumeng Wu, Yan Li, Di Wu, Yijun Wu, Li Gao, Yixin Hu, Jian Pan, Shaoyan Hu, Xiaoyan Yang

“…Our research aims to investigate the efficacy of the molecular glue degrader indisulam, which targets the splicing factor RNA binding motif protein 39 (RBM39) in AMKL models. Results Public drug sensitivity data analysis revealed that AMKL cell lines exhibited the highest sensitivity to indisulam compared with other tumor types. …”
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