Výsledky vyhledávání - "Vladimir Bartus"

Cellular Quantitative Structure–Activity Relationship (Cell-QSAR): Conceptual Dissection of Receptor Binding and Intracellular Disposition in Antifilarial Activities of Selwood Antimycins

Autor: Vladimir Bartus, Rajesh Subramaniam, Tiansheng Wang, Senthil Natesan, Stefan Balaz, Viera Lukacova, Akash Khandelwal

Publikováno v: Journal of Medicinal Chemistry

We present the cellular quantitative structure–activity relationship (cell-QSAR) concept that adapts ligand-based and receptor-based 3D-QSAR methods for use with cell-level activities. The unknown intracellular drug disposition is accounted for by

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a0508337a49011ded1be898a2f74581
https://doi.org/10.1021/jm201371y

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Rigorous Treatment of Multispecies Multimode Ligand−Receptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin

Autor: Viera Lukacova, Senthil Natesan, Vladimir Bartus, Akash Khandelwal, Stefan Balaz, Tiansheng Wang

Publikováno v: Journal of Chemical Information and Modeling. 51:1132-1150

For a rigorous analysis of the receptor-ligand binding, speciation of the ligands caused by ionization, tautomerism, covalent hydration, and dynamic stereoisomerism needs to be considered. Each species may bind in several orientations or conformation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b26ce1e795f1910c036090bbdf2be983
https://doi.org/10.1021/ci200055s

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Binding of Matrix Metalloproteinase Inhibitors to Extracellular Matrix: 3D-QSAR Analysis

Autor: Vladimir Bartus, Gregory R. Cook, Viera Lukacova, Xiaomin Jin, Mukund P. Sibi, Shankar Manyem, Sandeep R. Ghorpade, Yufen Zhang, Ethirajan Manivannan, Xiaoping Nie, Guorong Sun, Stefan Balaz

Publikováno v: Chemical Biology & Drug Design. 72:237-248

Binding to the extracellular matrix, one of the most abundant human protein complexes, significantly affects drug disposition. Specifically, the interactions with extracellular matrix determine the free concentrations of small molecules acting in tis

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55a4c7586b0e4d3b7bc2bf96aabeebd8
https://doi.org/10.1111/j.1747-0285.2008.00710.x

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Structural determinants of binding of aromates to extracellular matrix: a multi-species multi-mode CoMFA study

Autor: Vladimir Bartus, Yufen Zhang, Stefan Balaz, Viera Lukacova

Publikováno v: Chemical research in toxicology. 20(1)

For small molecules acting in tissues, including signaling peptides, effectors, inhibitors, and other drug candidates, nonspecific binding to the extracellular matrix (ECM) is a critical phenomenon affecting their disposition, toxicity, and other eff

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6db178370b29620794645c6d8466e3ff
https://pubmed.ncbi.nlm.nih.gov/17226922

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Akademický článek

Rigorous Treatment of Multispecies Multimode LigandâReceptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin.

Autor: Senthil Natesan, Tiansheng Wang, Viera Lukacova, Vladimir Bartus, Akash Khandelwal, Stefan Balaz

Publikováno v: Journal of Chemical Information & Modeling; May2011, Vol. 51 Issue 5, p1132-1150, 19p

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Akademický článek

Structural Determinants of Binding of Aromates to Extracellular Matrix:â A Multi-Species Multi-Mode CoMFA Study.

Autor: Yufen Zhang, Viera Lukacova, Vladimir Bartus, Stefan Balaz

Publikováno v: Chemical Research in Toxicology; Jan2007, Vol. 20 Issue 1, p11-19, 9p

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