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Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease
Influenza is a serious hazard to human health that causes hundreds of thousands of deaths annually. Though vaccines and current therapeutics can...
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Alanine mutation of the catalytic sites of Pantothenate Synthetase causes distinct conformational changes in the ATP binding region
The enzyme Pantothenate synthetase (PS) represents a potential drug target in Mycobacterium tuberculosis . Its X-ray crystallographic structure has...
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Antimycobacterial drug discovery using Mycobacteria-infected amoebae identifies anti-infectives and new molecular targets
Tuberculosis remains a serious threat to human health world-wide, and improved efficiency of medical treatment requires a better understanding of the...
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Suppression of Staphylococcus aureus biofilm formation and virulence by a benzimidazole derivative, UM-C162
Staphylococcus aureus is a major cause of nosocomial infections and secretes a diverse spectrum of virulence determinants as well as forms biofilm....
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Identification of a small molecule that primes the type I interferon response to cytosolic DNA
The type I interferon response plays a pivotal role in host defense against infectious agents and tumors, and promising therapeutic approaches rely...
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Alterations of mTOR signaling impact metabolic stress resistance in colorectal carcinomas with BRAF and KRAS mutations
Metabolic reprogramming is as a hallmark of cancer, and several studies have reported that BRAF and KRAS tumors may be accompanied by a...
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Comprehensive Modeling and Discovery of Mebendazole as a Novel TRAF2- and NCK-interacting Kinase Inhibitor
TRAF2- and NCK-interacting kinase (TNIK) represents one of the crucial targets for Wnt-activated colorectal cancer. In this study, we curated two...
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Urinary metabolomics reveals the therapeutic effect of HuangQi Injections in cisplatin-induced nephrotoxic rats
The side effects of cisplatin (CDDP), notably nephrotoxicity, greatly limited its use in clinical chemotherapy. HuangQi Injections (HI), a commonly...
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Oxyfunctionalization of pyridine derivatives using whole cells of Burkholderia sp. MAK1
Pyridinols and pyridinamines are important intermediates with many applications in chemical industry. The pyridine derivatives are in great demand as...
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Design, Synthesis and Biological Evaluation of novel Hedgehog Inhibitors for treating Pancreatic Cancer
Hedgehog (Hh) pathway is involved in epithelial-mesenchymal transition (EMT) and cancer stem cell (CSC) maintenance resulting in tumor progression....
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Novel selective, potent naphthyl TRPM8 antagonists identified through a combined ligand- and structure-based virtual screening approach
Transient receptor potential melastatin 8 (TRPM8), a nonselective cation channel, is the predominant mammalian cold temperature thermosensor and it...
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Cross-tissue Analysis of Gene and Protein Expression in Normal and Cancer Tissues
The central dogma of molecular biology describes the translation of genetic information from mRNA to protein, but does not specify the quantitation...
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Structure-Based Virtual Ligand Screening on the XRCC4/DNA Ligase IV Interface
The association of DNA Ligase IV (Lig4) with XRCC4 is essential for repair of DNA double-strand breaks (DSBs) by Non-homologous end-joining (NHEJ) in...
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Small Molecules Antagonise the MIA-Fibronectin Interaction in Malignant Melanoma
Melanoma inhibitory activity (MIA), an extracellular protein highly expressed by malignant melanoma cells, plays an important functional role in...
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Scaffold Hop** Toward Agomelatine: Novel 3, 4-Dihydroisoquinoline Compounds as Potential Antidepressant Agents
A scaffold-hop** strategy toward Agomelatine based on in silico screening and knowledge analysis was employed to design novel antidepressant...
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A Novel PET Imaging Probe for the Detection and Monitoring of Translocator Protein 18 kDa Expression in Pathological Disorders
A new fluorine-substituted ligand, compound 1 (CB251), with a very high affinity (Ki = 0.27 ± 0.09 nM) and selectivity for the 18-kDa translocator...
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Network-analysis-guided synthesis of weisaconitine D and liljestrandinine
General strategies for the chemical synthesis of organic compounds, especially of architecturally complex natural products, are not easily...
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Turning the respiratory flexibility of Mycobacterium tuberculosis against itself
The Mycobacterium tuberculosis (Mtb) electron transport chain (ETC) has received significant attention as a drug target, however its vulnerability...
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Synthesis and structural characterisation of amides from picolinic acid and pyridine-2,6-dicarboxylic acid
Coupling picolinic acid (pyridine-2-carboxylic acid) and pyridine-2,6-dicarboxylic acid with N -alkylanilines affords a range of mono- and bis-amides...
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Design, Synthesis and Structure-Activity Relationship Optimization of Lycorine Derivatives for HCV Inhibition
Lycorine is reported to be a multifunctional compound. We previously showed that lycorine is an HCV inhibitor with strong activity. Further research...
