Pharmacophore-Model-Based Virtual-Screening Approaches Identified Novel Natural Molecular Candidates for Treating Human Neuroblastoma [PDF]
Current Issues in Molecular Biology, 2022 The mortality of cancer patients with neuroblastoma is increasing due to the limited availability of specific treatment options. Few drug candidates for combating neuroblastoma have been developed, and identifying novel therapeutic candidates against the
F A Dain Md Opo +6 more
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Ligand-based pharmacophore model for the discovery of novel CXCR2 antagonists as anti-cancer metastatic agents [PDF]
Royal Society Open Science, 2018 Metastatic cancer is considered a fatal progression of cancer worldwide. It has been shown that a key player in this scenario is the CXC chemokine receptor 2 (CXCR2).
Jinxin Che +7 more
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Pharmacophore-Model-Based Drug Repurposing for the Identification of the Potential Inhibitors Targeting the Allosteric Site in Dengue Virus NS5 RNA-Dependent RNA Polymerase [PDF]
Viruses, 2022 Dengue virus (DENV) is the causative agent of DENV infection. To tackle DENV infection, the development of therapeutic molecules as direct-acting antivirals (DAAs) has been demonstrated as a truly effective approach.
Sanjay Kumar +7 more
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Journal of Lipid Research, 1999 To design a reliable 3D QSAR model of the intestinal Na+/bile acid cotransporter, we have used a training set of 17 inhibitors of the rabbit ileal Na+/bile acid cotransporter.
Karl-Heinz Baringhaus +3 more
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Design, synthesis and antifungal activity of threoninamide carbamate derivatives via pharmacophore model. [PDF]
J Enzyme Inhib Med Chem, 2020 Du XJ +5 more
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A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset. [PDF]
Front Pharmacol, 2019 Pascual R +3 more
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Lead compound discovery using pharmacophore-based models of small-molecule metabolites from human blood as inhibitor cellular entry of SARS-CoV-2 [PDF]
Journal of Pharmacy & Pharmacognosy Research, 2023 Context: The development of emerging viral diseases like SARS-CoV-2 has underlined the critical need for new antiviral medicines. Many of the discovered inhibitors have off-target effects or toxicity issues, but no single lead chemical has been found as ...
Ellin Febrina, Aiyi Asnawi
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Toll-like receptor 7 agonists: chemical feature based pharmacophore identification and molecular docking studies. [PDF]
PLoS ONE, 2013 Chemical feature based pharmacophore models were generated for Toll-like receptors 7 (TLR7) agonists using HypoGen algorithm, which is implemented in the Discovery Studio software.
Hui Yu +6 more
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In vitro and in silico antibacterial evaluation of nitrocatechol chalcone and pyrazoline derivatives
Results in Chemistry, 2023 The aim of this study was to determine the in vitro antibacterial activity of nitrocatechol chalcone and pyrazoline derivatives previously synthesised by our research group against Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii and
Alize Hoepfner +4 more
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Журнал органічної та фармацевтичної хімії, 2020 Aim. To develop a pharmacophore model suitable for the antistaphylococcal activity screening among thiazolidinone, thiopyrano[2,3-d]thiazole and thiazolo[4,5-b]pyridine derivatives. Results and discussion.
R. B. Vinnitska +7 more
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