TY  - JOUR
AU  - Mihajlović, Marija
AU  - Mitrašinović, Petar M.
PY  - 2009
UR  - https://ritnms.itnms.ac.rs/handle/123456789/147
AB  - Using the crystal structures of inhibitors bound to either group-2 or group-1 neuraminidases (NAs), AScore/ShapeDock (GaDock) scoring was shown to identify the binding modes in agreement with the experiment for all inhibitors docked in their own NA/inhibitor crystal structures. To investigate the effect of small changes in protein structure on predicted binding modes, in a set of 132 docking experiments (11 inhibitors docked in 12 group-2 NA structures), AScore/ShapeDock (GaDock) identified the correct binding modes of 116 complexes. In a total of 88 docking experiments (8 inhibitors docked in 11 group-1 NA structures), AScore/ShapeDock predicted 80 binding modes correctly. Flexible AScore/ShapeDock docking, as quite reproducible, is suggested to be convenient for designing novel H5N1 inhibitors.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Molecular Simulation
T1  - Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs)
EP  - 324
IS  - 4
SP  - 311
VL  - 35
DO  - 10.1080/08927020802430752
UR  - conv_556
ER  - 

@article{
author = "Mihajlović, Marija and Mitrašinović, Petar M.",
year = "2009",
abstract = "Using the crystal structures of inhibitors bound to either group-2 or group-1 neuraminidases (NAs), AScore/ShapeDock (GaDock) scoring was shown to identify the binding modes in agreement with the experiment for all inhibitors docked in their own NA/inhibitor crystal structures. To investigate the effect of small changes in protein structure on predicted binding modes, in a set of 132 docking experiments (11 inhibitors docked in 12 group-2 NA structures), AScore/ShapeDock (GaDock) identified the correct binding modes of 116 complexes. In a total of 88 docking experiments (8 inhibitors docked in 11 group-1 NA structures), AScore/ShapeDock predicted 80 binding modes correctly. Flexible AScore/ShapeDock docking, as quite reproducible, is suggested to be convenient for designing novel H5N1 inhibitors.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Molecular Simulation",
title = "Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs)",
pages = "324-311",
number = "4",
volume = "35",
doi = "10.1080/08927020802430752",
url = "conv_556"
}

Mihajlović, M.,& Mitrašinović, P. M.. (2009). Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs). in Molecular Simulation
Taylor & Francis Ltd, Abingdon., 35(4), 311-324.
https://doi.org/10.1080/08927020802430752
conv_556

Mihajlović M, Mitrašinović PM. Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs). in Molecular Simulation. 2009;35(4):311-324.
doi:10.1080/08927020802430752
conv_556 .

Mihajlović, Marija, Mitrašinović, Petar M., "Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs)" in Molecular Simulation, 35, no. 4 (2009):311-324,
https://doi.org/10.1080/08927020802430752 .,
conv_556 .

TY  - JOUR
AU  - Mitrašinović, Petar M.
AU  - Mihajlović, Marija
PY  - 2008
UR  - https://ritnms.itnms.ac.rs/handle/123456789/139
AB  - Due to rapid emergence of recombinant and antibody-based reagents targeting specifically biomarkers of disease, radiolabeling of antibodies has enabled the imaging and therapy of various reactive oxygen species (ROS)-mediated pathological conditions, such as cancer. Key contributions to this topic have been dissected through two main standpoints: (1) immunotherapeutics for advanced cancer care, including radiolabeling for cancer imaging and therapy, design and testing of antibodies, and radioimmunotherapy innovations for treating malignancies and (2) search for a more efficient drug-targeted delivery method for cancer therapy. Because tremendous progress has been made in recent years, the future of cancer radioimmunotherapy is suggested to be bright. The question, whether measurement of oxidative damage to DNA has clinical relevance, is addressed. To make biomarkers of oxidatively damaged DNA useful clinical tools, further validation of biomarkers, followed by further elucidation of the role of damage in disease, is suggested. To understand the role of oxidative damage by focusing on cellular processes under oxidative stress conditions, the complementarities of mechanistic cell biology studies and systems biology strategies in identifying new therapeutic targets are demonstrated for liver cancer cells. Since most morphological, physiological and molecular studies on death of cells in tissues have been carried out on isolated cell populations, systems biology is suggested to be a means of overcoming known difficulties manifested by interference and interaction with surrounding cells. The elucidation of fundamental background of the ability of cells to interpret the same signal action in distinct fashions - survival vs. death signal transduction is suggested to facilitate more localized and efficient treatments of various ROS-mediated pathologies.
PB  - Bentham Science Publ Ltd, Sharjah
T2  - Current Radiopharmaceuticals
T1  - Recent Advances in Radiation Therapy of Cancer Cells: A Step towards an Experimental and Systems Biology Framework
EP  - 29
IS  - 1
SP  - 22
VL  - 1
DO  - 10.2174/1874471010801010022
UR  - conv_475
ER  - 

@article{
author = "Mitrašinović, Petar M. and Mihajlović, Marija",
year = "2008",
abstract = "Due to rapid emergence of recombinant and antibody-based reagents targeting specifically biomarkers of disease, radiolabeling of antibodies has enabled the imaging and therapy of various reactive oxygen species (ROS)-mediated pathological conditions, such as cancer. Key contributions to this topic have been dissected through two main standpoints: (1) immunotherapeutics for advanced cancer care, including radiolabeling for cancer imaging and therapy, design and testing of antibodies, and radioimmunotherapy innovations for treating malignancies and (2) search for a more efficient drug-targeted delivery method for cancer therapy. Because tremendous progress has been made in recent years, the future of cancer radioimmunotherapy is suggested to be bright. The question, whether measurement of oxidative damage to DNA has clinical relevance, is addressed. To make biomarkers of oxidatively damaged DNA useful clinical tools, further validation of biomarkers, followed by further elucidation of the role of damage in disease, is suggested. To understand the role of oxidative damage by focusing on cellular processes under oxidative stress conditions, the complementarities of mechanistic cell biology studies and systems biology strategies in identifying new therapeutic targets are demonstrated for liver cancer cells. Since most morphological, physiological and molecular studies on death of cells in tissues have been carried out on isolated cell populations, systems biology is suggested to be a means of overcoming known difficulties manifested by interference and interaction with surrounding cells. The elucidation of fundamental background of the ability of cells to interpret the same signal action in distinct fashions - survival vs. death signal transduction is suggested to facilitate more localized and efficient treatments of various ROS-mediated pathologies.",
publisher = "Bentham Science Publ Ltd, Sharjah",
journal = "Current Radiopharmaceuticals",
title = "Recent Advances in Radiation Therapy of Cancer Cells: A Step towards an Experimental and Systems Biology Framework",
pages = "29-22",
number = "1",
volume = "1",
doi = "10.2174/1874471010801010022",
url = "conv_475"
}

Mitrašinović, P. M.,& Mihajlović, M.. (2008). Recent Advances in Radiation Therapy of Cancer Cells: A Step towards an Experimental and Systems Biology Framework. in Current Radiopharmaceuticals
Bentham Science Publ Ltd, Sharjah., 1(1), 22-29.
https://doi.org/10.2174/1874471010801010022
conv_475

Mitrašinović PM, Mihajlović M. Recent Advances in Radiation Therapy of Cancer Cells: A Step towards an Experimental and Systems Biology Framework. in Current Radiopharmaceuticals. 2008;1(1):22-29.
doi:10.2174/1874471010801010022
conv_475 .

Mitrašinović, Petar M., Mihajlović, Marija, "Recent Advances in Radiation Therapy of Cancer Cells: A Step towards an Experimental and Systems Biology Framework" in Current Radiopharmaceuticals, 1, no. 1 (2008):22-29,
https://doi.org/10.2174/1874471010801010022 .,
conv_475 .