A5045167053- Computational Drug Discovery Methods
- Epigenetics and DNA Methylation
- Protein Structure and Dynamics
- Liver physiology and pathology
- Bioinformatics and Genomic Networks
- Cancer-related gene regulation
- RNA modifications and cancer
- Drug Transport and Resistance Mechanisms
- Protein Kinase Regulation and GTPase Signaling
- Machine Learning in Bioinformatics
- Antibiotic Resistance in Bacteria
- PI3K/AKT/mTOR signaling in cancer
- Genomics and Chromatin Dynamics
- Histone Deacetylase Inhibitors Research
- Peptidase Inhibition and Analysis
- Color Science and Applications
- Antibiotics Pharmacokinetics and Efficacy
- Pharmaceutical and Antibiotic Environmental Impacts
- Gene Regulatory Network Analysis
- Cellular transport and secretion
- Genomics, phytochemicals, and oxidative stress
- Biochemical and Molecular Research
- Chemical Synthesis and Analysis
- Protein Degradation and Inhibitors
- Ubiquitin and proteasome pathways
Soochow University
2016-2025
Second Affiliated Hospital & Yuying Children's Hospital of Wenzhou Medical University
2024
Wenzhou Medical University
2024
Chinese Academy of Sciences
2010-2023
Shanghai Institute of Materia Medica
2010-2023
Shanghai Jiao Tong University
2022-2023
Center for Systems Biology
2013-2014
Shanghai Institutes for Biological Sciences
2012-2013
657 Oslo
2013
Central South University
2013
Protein posttranslational modifications (PTMs), particularly phosphorylation, dramatically expand the complexity of cellular regulatory networks. Although cysteine (Cys) in various proteins can be subject to multiple PTMs, its phosphorylation was previously considered a rare PTM with almost no role assigned. We report here that occurs reactive residue conserved staphylococcal accessary regulator A (SarA)/MarR family global transcriptional (MgrA) proteins, and is mediated by eukaryotic-like...
O-linked N-acetylglucosamine glycosylations (O-GlcNAc) and phosphorylations (O-phosphate), as two important types of post-translational modifications, often occur on the same protein bear a reciprocal relationship. In addition to well documented that control Akt activity, also undergoes O-GlcNAcylation, but interplay between these modifications biological significance remain unclear, largely due technique challenges. Here, we applied two-step analytic approach composed O-GlcNAc...
Protein arginine methyltransferases (PRMTs) are proved to play vital roles in chromatin remodeling, RNA metabolism, and signal transduction. Aberrant regulation of PRMT activity is associated with various pathological states such as cancer cardiovascular disorders. Development application small molecule inhibitors will provide new avenues for therapeutic discovery. The combination pharmacophore-based virtual screening methods radioactive methylation assays provided six hits identified...
The New Delhi Metallo-β-lactamase (NDM-1) was first reported in 2009 a Swedish patient. A recent study that Klebsiella pneumonia NDM-1 positive strain or Escherichia coli highly resistant to all antibiotics tested except tigecycline and colistin. These can no longer be relied on treat infections therefore, now becomes potentially major global health threat. In this study, we performed modeling studies obtain its 3D structure NDM-1/antibiotics complex. It revealed the hydrolytic mechanisms...
Abstract The connection between inflammation and tumourigenesis has been well established. However, the detailed molecular mechanism underlying inflammation-associated remains unknown because this process involves a complex interplay immune microenvironments epithelial cells. To obtain more systematic understanding of as to identify novel therapeutic approaches, we constructed knowledge-based network describing development colitis-associated colon cancer (CAC) by integrating extracellular...
Lysine-specific demethylase 1 (LSD1), the first identified histone demethylase, is a flavin-dependent amine oxidase which specifically demethylates mono- or dimethylated H3K4 and H3K9 via redox process. It participates in broad spectrum of biological processes high importance cell proliferation, adipogenesis, spermatogenesis, chromosome segregation embryonic development. To date, as potential drug target for discovering anti-tumor drugs, medical significance LSD1 has been greatly...
The histone acetylation of post-translational modification can be highly dynamic and play a crucial role in regulating cellular proliferation, survival, differentiation motility. Of the enzymes that mediate post-translation modifications, GCN5 acetyltransferase (HAT) proteins family add acetyl groups to target lysine residues within histones, has been most extensively studied. According mechanism studies related proteins, two key processes, deprotonation acetylation, must involved. However,...
Protein arginine methyltransferases (PRMTs) catalyze the posttranslational methylation of arginine, which is important in a range biological processes, including epigenetic regulation, signal transduction, and cancer progression. Although previous studies PRMT1 mutants suggest that dimerization arm N-terminal region are for activity, contributions these regions to structural architecture protein its catalytic activity remain elusive. Molecular dynamics (MD) simulations performed this study...
Host-microbe interactions determine the outcome of host responses to commensal and pathogenic microbes. Previously, two epithelial cell-binding peptides were found be homologues sites (B, aa168-174; F, aa303-309) in flagellar hook protein FlgE Pseudomonas aeruginosa. Tertiary modeling predicted these at interface neighboring monomers fully formed hook. Recombinant stimulated proinflammatory cytokine production a human cell line murine lung organoid culture as detected with real-time RT-PCR...
Current biochemical approaches have only identified the most well-characterized kinases for a tiny fraction of phosphoproteome, and functional assignments phosphosites are almost negligible. Herein, we analyze substrate preference catalyzed by specific kinase present novel integrated deep neural network model named FuncPhos-SEQ assignment human proteome-level phosphosites. incorporates phosphosite motif information from protein sequence using multiple convolutional (CNN) channels features...
The transcriptional coactivator and histone acetyltransferase (HAT) p300 acetylates the four core histones other transcription factors to regulate a plethora of fundamental biological processes including cell growth, development, oncogenesis apoptosis. Recent structural biochemical studies on HAT domain revealed Theorell-Chance, or "hit-and-run", catalytic mechanism. Nonetheless, chemical mechanism entire reaction process proton transfer (PT) scheme consequent acetylation route remains...
Protein arginine methylation is a common post-translational modification which crucial for variety of biological processes. Dysregulation protein methyltransferases (PRMTs) activity has been implicated in cancer and other serious diseases. Thus, small molecule inhibitors against PRMT have great potential therapeutic development. Herein, through the combination virtual screening bioassays, six molecular compounds were identified as PRMT1 inhibitors. Amongst them, binding affinity DCLX069...
Pleckstrin homology (PH) domains share low sequence identities but extremely conserved structures. They have been found in many proteins for cellular signal-dependent membrane targeting by binding inositol phosphates to perform different physiological functions. In order understand the sequence-structure relationship and specificities of PH domains, quantum mechanical (QM) calculations sequence-based combined with structure-based analysis were employed our research. structural aspect, shown...