Search Results - "Zou, Rongfeng"
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Peptide self-assembly triggered by metal ions
Published in Chemical Society reviews (07-08-2015)“…Through their unique and specific interactions with various metal ions, naturally occurring proteins control structures and functions of many biological…”
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Molecular Engineered Squaraine Nanoprobe for NIR-II/Photoacoustic Imaging and Photothermal Therapy of Metastatic Breast Cancer
Published in ACS applied materials & interfaces (29-01-2020)“…Various squaraine dyes have been developed for biological imaging. Nevertheless, squaraine dyes with emission in the second window (NIR-II, 1000–1700 nm) have…”
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Asymmetric opening of the homopentameric 5-HT3A serotonin receptor in lipid bilayers
Published in Nature communications (16-02-2021)“…Pentameric ligand-gated ion channels (pLGICs) of the Cys-loop receptor family are key players in fast signal transduction throughout the nervous system. They…”
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Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase
Published in Nature communications (13-10-2021)“…The Yersinia outer protein J (YopJ) family effectors are widely deployed through the type III secretion system by both plant and animal pathogens. As…”
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Structural insights into drug transport by an aquaglyceroporin
Published in Nature communications (11-05-2024)“…Pentamidine and melarsoprol are primary drugs used to treat the lethal human sleeping sickness caused by the parasite Trypanosoma brucei . Cross-resistance to…”
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MolADI: A Web Server for Automatic Analysis of Protein–Small Molecule Dynamic Interactions
Published in Molecules (Basel, Switzerland) (30-07-2021)“…Protein–ligand interaction analysis is important for drug discovery and rational protein design. The existing online tools adopt only a single conformation of…”
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Rutin, A Natural Inhibitor of IGPD Protein, Partially Inhibits Biofilm Formation in Staphylococcus xylosus ATCC700404 in vitro and in vivo
Published in Frontiers in pharmacology (11-08-2021)“…( ) has become an emerging opportunistic pathogen due to its strong biofilm formation ability. Simultaneously, the biofilm of bacteria plays an important role…”
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Discovery of traditional Chinese medicines against porcine reproductive and respiratory syndrome virus
Published in Pharmacological research. Modern Chinese medicine (01-12-2021)“…•We creatively used computer simulations to identify potential virus-cell binding sites.•A salt bridge between Arg561 and Asp505 was important to stabilize the…”
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Wavelength-adjustable butterfly molecules in dynamic nanoassemblies for Extradomain-B fibronectin-modulating optical imaging and synchronous phototherapy of triple-negative breast cancer
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15-09-2021)“…[Display omitted] •Wavelength-adjustable butterfly molecules were assembled in dynamic nanoassemblies.•The nanoassemblies could selectively target and image…”
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Activity of Antimicrobial Peptide Aggregates Decreases with Increased Cell Membrane Embedding Free Energy Cost
Published in Biochemistry (Easton) (08-05-2018)“…Antimicrobial peptides (AMPs) are a promising alternative to antibiotics for mitigating bacterial infections, in light of increasing bacterial resistance to…”
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Dynamics with Explicit Solvation Reveals Formation of the Prereactive Dimer as Sole Determining Factor for the Efficiency of Ru(bda)L2 Catalysts
Published in ACS catalysis (07-09-2018)“…This report describes all key steps in the O–O bond formation from two separated [RuVO(bda)L2]+ cations to form the dinuclear…”
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Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2
Published in Journal of chemical information and modeling (23-03-2020)“…Intrinsically disordered proteins (IDPs) exert their functions by binding to partner proteins via a complex process that includes coupled folding and binding…”
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Molecular basis of ligand selectivity for melatonin receptors
Published in RSC advances (31-01-2023)“…Sleep disorders in adults are related to adverse health effects such as reduced quality of life and increased mortality. About 30-40% of adults are suffering…”
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Dynamics with Explicit Solvation Reveals Formation of the Prereactive Dimer as Sole Determining Factor for the Efficiency of Ru(bda)L 2 Catalysts
Published in ACS catalysis (07-09-2018)“…This report describes all key steps in the O-O bond formation from two separated [Ru-V=O(bda)L-2](+) cations to form the dinuclear…”
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Magainin II modified polydiacetylene micelles for cancer therapy
Published in Nanoscale (21-12-2014)“…Polydiacetylene (PDA) micelles have been widely used to deliver anticancer drugs in the treatment of a variety of tumours and for imaging living cells. In this…”
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Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K‑β Case Study
Published in Journal of chemical information and modeling (28-08-2023)“…Computer-aided drug design (CADD), especially artificial intelligence-driven drug design (AIDD), is increasingly used in drug discovery. In this paper, a novel…”
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The role of metal ions in G protein‐coupled receptor signalling and drug discovery
Published in Wiley interdisciplinary reviews. Computational molecular science (01-03-2022)“…Metal ions, such as Na+, Mg2+, Ca2+, and Zn2+, are highly abundant in biological systems. For many G protein‐coupled receptors (GPCRs), metal ions, especially…”
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A Probe for the Detection of Hypoxic Cancer Cells
Published in ACS sensors (25-08-2017)“…Hypoxia is a common feature of tumor cells. Nitroreductase (NTR), a common biomarker of hypoxia, has been widely used to evaluate the extent of tumor hypoxia…”
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Synergistic application of molecular docking and machine learning for improved binding pose
Published in National Science Open (01-03-2024)“…Accurate prediction of protein-ligand complex structures is a crucial step in structure-based drug design. Traditional molecular docking methods exhibit…”
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