A5100647980- Computational Drug Discovery Methods
- Cancer-related molecular mechanisms research
- Cancer, Hypoxia, and Metabolism
- Microbial Natural Products and Biosynthesis
- Bioinformatics and Genomic Networks
- RNA modifications and cancer
- Circular RNAs in diseases
- Supramolecular Self-Assembly in Materials
- Pharmacological Effects of Natural Compounds
- Immune Response and Inflammation
- ATP Synthase and ATPases Research
- Antimicrobial Peptides and Activities
- RNA Interference and Gene Delivery
- Synthesis of Tetrazole Derivatives
- Metabolomics and Mass Spectrometry Studies
- Phagocytosis and Immune Regulation
- Herbal Medicine Research Studies
- Phenothiazines and Benzothiazines Synthesis and Activities
- Alzheimer's disease research and treatments
- Autophagy in Disease and Therapy
- Peptidase Inhibition and Analysis
- Gene Regulatory Network Analysis
- Plant biochemistry and biosynthesis
- Biochemical and Molecular Research
- Melanoma and MAPK Pathways
The Affiliated Yongchuan Hospital of Chongqing Medical University
2021-2025
Chongqing Medical University
2020-2025
Chinese Academy of Sciences
2011-2024
Zhejiang Cancer Hospital
2021-2024
Shanghai Institute of Organic Chemistry
2014-2021
Cancer Hospital of Chinese Academy of Medical Sciences
2021
University of Chinese Academy of Sciences
2021
Beijing National Laboratory for Molecular Sciences
2014-2017
Peking University
2014-2017
State Key Laboratory of Rare Earth Materials Chemistry and Application
2014-2017
Significance Many proteins enter the amyloid state, which is associated with human diseases and also involved in many biological events. Amyloid formed by various has a uniform “cross-β” structure protein units stacking repetitively into fibrils. This unique brings favorable mechanical chemical properties, inspires exploration of as novel class bionanomaterials. On other hand, fibrillar limits application materials for diverse function. paper illustrates our discovery, characterization,...
Amyloid fibers, once exclusively associated with disease, are acquiring utility as a class of biological nanomaterials. Here we introduce method that utilizes the atomic structures amyloid peptides, to design materials versatile applications. As model application, designed fibers capable capturing carbon dioxide from flue gas, address global problem excess anthropogenic dioxide. By measuring dynamic separation nitrogen, show amino acid sequences double binding capacity previously reported...
Long noncoding RNAs (lncRNAs) are known to regulate DNA damage response (DDR) and genome stability in proliferative cells. However, it remains unknown whether lncRNAs involved these vital biological processes post-mitotic neurons. Here, we report characterize a lncRNA, termed Brain Specific DNA-damage Related lncRNA1 (BS-DRL1), the central nervous system. BS-DRL1 is brain-specific lncRNA depletion of neurons leads impaired DDR upon etoposide treatment vitro. Mechanistically, interacts with...
Damage-associated molecular patterns (DAMPs) induced by immunogenic cell death (ICD) may be useful for the immunotherapy to patients undergoing pancreatic ductal adenocarcinoma (PDAC). The aim of this study is predict prognosis and responsiveness PDAC using DAMPs-related genes. K-means analysis was used identify subtypes 175 cases. significance gene mutation immune status in different detected. LASSO regression construct a prognostic signature PDAC. Subsequently, vivo vitro experiments...
Cancer is a complex disease, known medically as malignant neoplasm. Natural products (NPs) play very important role in anticancer drug discovery and large number of NPs have been proven to potential effects. Compared with newly synthesized chemical compounds, show favorable profile terms their absorption metabolism the body low toxicity. Searching for multi-target natural drugs can be regarded solution improve therapeutic efficacy safety. In this work, we collected 104 cancer-associated...
Abstract Peptide–drug conjugates (PDCs) have emerged as a promising class of targeted therapeutics with substantial pharmaceutical advantages and market potentials, which is combination peptide (selective to the disease-relevant target), linker (stable in circulation but cleavable at target site) cytotoxic/radioactive drug (efficacious/traceable for disease). Among existing PDCs, those based on radiopharmaceuticals (a.k.a. radioactive drugs) are valued due their accurate imaging destruction...
Long noncoding RNAs (lncRNAs) play critical roles in the pathogenesis of several diseases, especially some kinds cancer. This study aimed to investigate expression MTCP1-AS1 and its effects on endometrial cancer (EC).MTCP1-AS1 level was determined human EC tissues cell lines by qRT-PCR. The role proliferation, migration, invasion epithelial mesenchymal transition (EMT) detected CCK8, wound-healing assay, transwell assay Western blot, respectively. Moreover, luciferase reporter RNA-binding...
Quantitative description of dose-response a drug for complex systems is essential treatment diseases and discovery. Given the growth large-scale biological data obtained by multi-level assays, computational modeling has become an important approach to understand mechanism action. However, due complicated interactions between drugs cellular targets, prediction efficacy challenge, especially systems. And can be regarded as networks, where nodes represent molecular entities (DNA, RNA, protein...
Abstract ReDuNing injection (RDN) is a patented traditional Chinese medicine and the components of it were proven to have antiviral important anti-inflammatory activities. Several reports showed that RDN had potential effects in treatment influenza pneumonia. Though there several experimental about RDN, results not enough complete due was difficult predict verify effect for large number human diseases. Here we employed multiscale model by integrating molecular docking, network pharmacology...
Psoriasis is a refractory skin disorder, and usually requires lifetime control. Traditional Chinese medicine (TCM) effective safe for this disease. However, the cellular molecular mechanisms of TCM remedies psoriasis are still not fully understood. contains numerous natural products. Natural products have historically been invaluable as resource therapeutic agents. Yet, there no integrated information about active compounds psoriasis.We use systems pharmacology methods to develop Database...
Background: The monocarboxylate transporter (MCT) family especially MCT1 and MCT4 have been recognized to play an important role in lactate transport, a key glycolytic product. expression of was previously found be related poor outcome various cancer types. In this study, we investigated the status their relationship with prognosis non-small cell lung (NSCLC). Methods: Expression NSCLC tumor adjacent tissues were detected by immunohistochemistry. Kaplan-Meier plots used evaluate two...
Hepatocellular carcinoma (HCC) is one of the most prevalent and lethal cancers worldwide. Neovascularization closely related to malignancy tumors. We constructed a signature angiogenesis-related long noncoding RNA (lncRNA) predict prognosis patients with HCC. The lncRNA expression matrix 424 HCC was downloaded from Cancer Genome Atlas (TCGA). First, gene set enrichment analysis (GSEA) used distinguish differentially expressed genes angiogenesis in liver cancer adjacent tissues. Next, lncRNAs...
Background Hepatocellular carcinoma (HCC) is one of the world’s most prevalent and lethal cancers. Notably, microenvironment tumor starvation closely related to cancer malignancy. Our study constructed a signature starvation-related genes predict prognosis liver patients. Methods The mRNA expression matrix corresponding clinical information HCC patients were obtained from International Cancer Genome Consortium (ICGC) Atlas (TCGA). Gene set enrichment analysis (GSEA) was used distinguish...
An approach to integrate molecular docking and pathway networks was developed evaluate the efficacy of multi-target compounds.
We explored the potential of carbohydrates in drug discovery by using a network-based multi-target computational approach.
Fructose 1,6-bisphosphatase (FBPase) has been identified as a drug discovery target for lowering glucose in type 2 diabetes mellitus. In this study, large series of 105 FBPase inhibitors were studied using combinational method by 3D-QSAR, molecular docking and dynamics simulations further improvement potency. The optimal 3D models exhibit high statistical significance the results, especially CoMFA results with r(ncv) (2), q(2) values 0.986, 0.514 internal validation, r(pred) r(m) (2)...
Mitogen-activated protein kinase-activated kinase 2 (MK-2) has been identified as a drug target for the treatment of inflammatory diseases. Currently, series thiourea analogs potent MK-2 inhibitors were studied using comprehensive computational methods by 3D-QSAR, molecular docking and dynamics simulations further improvement in activities. The optimal 3D models exhibit high statistical significance results, especially CoMFA results with r2ncv, q2 values 0.974, 0.536 internal validation,...
The toll-like receptor (TLR) is an emerging signaling pathway in tumor invasion and metastasis. activation of TLRs requires specific accessory proteins, such as the small secreted glycoprotein myeloid differentiation protein 2 (MD2), which contributes to ligand responsiveness. However, role MD2 tumorigenesis metastasis has rarely been reported. This study aimed investigate effects underlying mechanisms on proliferation, migration, hepatocellular carcinoma (HCC).Cell counting kit 8 (CCK8),...