Search Results - "Tu, Guogang"
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Molecular dynamics-guided receptor-dependent 4D-QSAR studies of HDACs inhibitors
Published in Molecular diversity (01-04-2022)“…Histone deacetylases (HDACs) were highlighted as a novel category of anticancer targets. Several HDACs inhibitors were approved for therapeutic use in cancer…”
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5D-QSAR studies of 1H-pyrazole derivatives as EGFR inhibitors
Published in Journal of molecular modeling (01-12-2022)“…Epidermal growth factor receptor (EGFR) is highlighted as a target for anticancer treatment. Several EGFR inhibitors were approved in cancer treatment…”
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Synthesis and Molecular Simulation Studies of Mandelic Acid Peptidomimetic Derivatives as Aminopeptidase N Inhibitors
Published in Current computer-aided drug design (01-01-2021)“…The aminopeptidase N (APN) over-expressed in tumor cells plays a critical role in angiogenesis which makes the development of APN inhibitors an attractive…”
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Novel aminopeptidase N inhibitors derived from 1,3,4-thiadiazole scaffold
Published in Bioorganic & medicinal chemistry (15-07-2008)“…The synthesis and biological activity of a new series of 1,3,4-thiadiazole scaffold is described. The aminopeptidase N (APN/CD13), overexpressed in tumor…”
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3D-QSAR studies on flavone-8-acetic acid derivatives of aminopeptidase N inhibitors
Published in Medicinal chemistry (Shp-sariqah, United Arab Emirates) (01-01-2015)“…The 3D-QSARs models of 29 flavone-8-acetic acid derivatives of aminopeptidase N inhibitors were generated by applying the molecular interaction fields at…”
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Progress in the development of matrix metalloproteinase inhibitors
Published in Current medicinal chemistry (01-06-2008)“…Matrix metalloproteinases (MMPs) are a family of zinc-dependent proteinases involved in the degradation and remodeling of extracellular matrix proteins that…”
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Synthesis and antiproliferative assay of 1,3,4-oxadiazole and 1,2,4-triazole derivatives in cancer cells
Published in Drug Discoveries & Therapeutics (01-04-2013)“…A series of new 1,3,4-oxadiazole and 1,2,4-triazole derivatives were synthesized. The structures were confirmed by IR, 1H-NMR, and MS. The compounds were…”
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HOMOLOGY MODEL, DOCKING ANALYSIS AND MOLECULAR DYNAMICS SIMULATION OF CANNABINOID CB2 RECEPTOR
Published in Farmacia (București) (15-04-2020)Get full text
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4D-QSAR studies of CB2 cannabinoid receptor inverse agonists: a comparison to 3D-QSAR
Published in Medicinal chemistry research (01-04-2019)“…Over the years QSAR methods have developed from 2D-QSAR to more complex 4D-QSAR which features freedom of alignment and conformational flexibility of…”
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Synthesis and molecular simulation study of furoic peptidomimetic derivatives as potent aminopeptodase N inhibitors
Published in Pharmazie (05-03-2018)“…The aminopeptidase N (APN) plays a critical role in angiogenesis and is over-expressed in tumor cells. In this paper, we report the synthesis and enzyme…”
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3D-QSAR Studies, Molecular Dynamics Simulation and Free Energy Calculation of APN Inhibitors
Published in International journal of pharmacology (01-01-2015)Get full text
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Exploring ligand dissociation pathways from aminopeptidase N using random acceleration molecular dynamics simulation
Published in Journal of molecular modeling (01-10-2016)“…Aminopeptidase N (APN) is a zinc-dependent ectopeptidase involved in cell proliferation, secretion, invasion, and angiogenesis, and is widely recognized as an…”
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Design, synthesis and biological evaluation of CB1 cannabinoid receptor ligands derived from the 1,5-diarylpyrazole scaffold
Published in Journal of enzyme inhibition and medicinal chemistry (01-04-2011)“…The CB1 receptor belongs to the G-protein-coupled receptor superfamily. CB1 antagonism has been considered as a new therapeutic target for the treatment of…”
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