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Abstract 061: Identification of Proteins Predictive of Post‐Thrombectomy Outcome Based on an Appalachian vs. Non‐Appalachian Cohort
Published 2023-11-01“…Appalachians are more likely to have comorbidities related to stroke, such as diabetes, obesity, and tobacco use, and are often less likely to have stroke interventions such as mechanical thrombectomy (MT) for emergent large vessel occlusion (ELVO). …”
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Evaluation of the International Health Regulations core capacities at designated points of entry in Liberia, December 2019
Published 2024-02-01“…The IHR 2005 is a legally binding document which guides nations to ensure global public health security, with the establishment of minimum core capacities at ports of entry (PoEs) as a requirement to reduce the risk of disease spread. …”
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Magnetic resonance imaging measures of brain atrophy from the EXPEDITION3 trial in mild Alzheimer's disease
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Resistance mutations impair benzimidazole efficacy against Ascaridia galli by altering β-tubulin interactions
Published 2025-08-01“…Molecular dynamics simulations revealed that wild-type and mutated A. galli β-tubulins share comparable binding behavior with Fenbendazole. The binding free energies show that the E198A mutation caused decreased binding efficacy, potentially causing resistance. …”
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Selection of apoptotic cell specific human antibodies from adult bone marrow.
Published 2014-01-01“…To re-construct the postulated structural format of the parental anti-PC antibody, the dominant clone was also expressed as a recombinant human polymeric IgM, which revealed a substantially increased binding reactivity, with dose-dependent and antigen-inhibitable binding of apoptotic cells. …”
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Computational drug discovery of phytochemical alkaloids targeting the NACHT/PYD domain in the NLRP3 inflammasome
Published 2025-05-01“…Docking analysis of the selected alkaloids showed the lowest/best binding energies of less than − 10 Kcal/mol against NLRP3 Chain A, based on this docking result, which is regarded as an exceptional binding score. …”
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Brazilin from Caesalpinia sappan L. as a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitor: Pharmacophore-Based Virtual Screening, In Silico Molecular Docking, and In...
Published 2023-01-01“…Elevated levels of PCSK9 have been linked to an increased LDL-c plasma levels, thereby increasing the risk of cardiovascular disease (CVD), making it an attractive target for therapeutic interventions. As a way to inhibit PCSK9 action, we searched for naturally derived small molecules which can block the binding of PCSK9 to the LDLR. …”
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Conformational Analyses of the AHD1-UBAN Region of TNIP1 Highlight Key Amino Acids for Interaction with Ubiquitin
Published 2025-03-01“…Here we employed bioinformatic analysis and biophysical interventions via amino acid mutations to assess and alter, respectively, conformational flexibility along a crucial region of TNIP1, encompassing the ABIN homology domain 1 and ubiquitin-binding domain in ABIN proteins and NEMO (AHD1-UBAN), by purposeful replacement of key residues. …”
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Unlocking the potential of phytochemicals in inhibiting SARS-CoV-2 MPro protein - an in silico and cell-based approach
Published 2025-07-01“…However, the efficacy of these remains in question owing to the inherent flexibility of the MPro binding site, posing challenges in selecting suitable protein structures for virtual screening. …”
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Filamentation of hCTPS1 with CTP
Published 2025-07-01“…This study opens new avenues for targeting hCTPS1 in therapeutic interventions.…”
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On the utility of immobilized phenylarsine oxide in the study of redox sensitive cardiac proteins
Published 2025-05-01“…As increasing numbers of thiol redox proteins are identified, PAO-Sepharose binding is an efficient method to determine if they change their oxidation state during interventions relevant to health and disease.…”
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Immune counter-evolution: immortalized B cell clones can undergo ex vivo directed evolution to counteract viral escape
Published 2025-08-01“…IntroductionAmid the persistent threat of future pandemics, the continuous evolution of SARS-CoV-2 exposed critical challenges for vaccine efficacy and therapeutic interventions, highlighting the need for rapid and adaptable approaches to respond to immune escape variants.MethodsHere, we report the use of immortalized B cell libraries from human peripheral blood mononuclear cells (PBMCs) and tonsil tissues to uncover B cell clones exhibiting cross-reactive neutralization against various SARS-CoV-2 variants and perform directed evolution of immortalized B cell clones to produce antibodies with improved binding and neutralization against emerging SARS-CoV-2 variants.ResultsImmortalization of PBMC and tonsil-derived human B cells was achieved through transduction with retroviral vectors encoding apoptosis inhibitors, yielding transduction efficiencies of 67.5% for PBMCs and 50.2% for tonsil-derived cells. …”
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Comprehensive characterization of high-risk coding and non-coding single nucleotide polymorphisms of human CXCR4 gene.
Published 2024-01-01“…Non-coding SNPs in the 3' -UTR were investigated for their regulatory effects on miRNA binding sites using PolymiRTS. Five non-coding SNPs were identified in the 3'-UTR that can disrupt existing miRNA binding sites or create new ones. …”
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Structural insights into calcium-dependent CIB2-TMC1 interaction in hair cell mechanotransduction
Published 2025-02-01“…Abstract Calcium- and integrin-binding protein 2 (CIB2) plays a crucial role in mechanoelectrical transduction (MET) in cochlear hair cells, particularly in modulating the function and localization of the core components of MET channels TMC1/2. …”
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Exploring the toxicological effects of DOTP exposure on periodontitis by combining molecular docking and molecular dynamics simulations
Published 2025-07-01“…DOTP exhibited robust binding to these targets through hydrogen bonding and hydrophobic interactions, with the DOTP-PTGS2 complex displaying the most favorable binding energy (− 7.1 kcal/mol). …”
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