TY  - JOUR
AU  - Villalta-Romero, Fabian
AU  - Borro, Luiz
AU  - Mandić, Boris
AU  - Escalante, Teresa
AU  - Rucavado, Alexandra
AU  - Gutierrez, Jose Maria
AU  - Nešić, Goran
AU  - Tasić, Ljubica
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2449
AB  - Snakebites represent an important public health problem, with a great number of victims with permanent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom metalloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutralizing them rapidly and locally by antivenoms, the search and design of small molecules as inhibitors of SVMPs are proposed. The Bothrops asper metalloprotease P1 (BaP1) is hereby used as a target protein and by High Throughput Virtual Screening (HTVS) approach, the free access virtual libraries: ZINC, PubChem and ChEMBL, were searched for potent small molecule inhibitors. Results from the aforementioned approaches provided strong evidences on the structural requirements for the efficient BaP1 inhibition such as the presence of the pyrimidine-2,4,6-trione moiety. The two proposed compounds have also shown excellent results in performed in vitro interaction studies against BaPl. (C) 2017 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Bioorganic and Medicinal Chemistry Letters
T1  - Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests
VL  - 27
IS  - 9
SP  - 2018
EP  - 2022
DO  - 10.1016/j.bmcl.2017.03.007
ER  - 

@article{
author = "Villalta-Romero, Fabian and Borro, Luiz and Mandić, Boris and Escalante, Teresa and Rucavado, Alexandra and Gutierrez, Jose Maria and Nešić, Goran and Tasić, Ljubica",
year = "2017",
abstract = "Snakebites represent an important public health problem, with a great number of victims with permanent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom metalloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutralizing them rapidly and locally by antivenoms, the search and design of small molecules as inhibitors of SVMPs are proposed. The Bothrops asper metalloprotease P1 (BaP1) is hereby used as a target protein and by High Throughput Virtual Screening (HTVS) approach, the free access virtual libraries: ZINC, PubChem and ChEMBL, were searched for potent small molecule inhibitors. Results from the aforementioned approaches provided strong evidences on the structural requirements for the efficient BaP1 inhibition such as the presence of the pyrimidine-2,4,6-trione moiety. The two proposed compounds have also shown excellent results in performed in vitro interaction studies against BaPl. (C) 2017 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Bioorganic and Medicinal Chemistry Letters",
title = "Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests",
volume = "27",
number = "9",
pages = "2018-2022",
doi = "10.1016/j.bmcl.2017.03.007"
}

Villalta-Romero, F., Borro, L., Mandić, B., Escalante, T., Rucavado, A., Gutierrez, J. M., Nešić, G.,& Tasić, L.. (2017). Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests. in Bioorganic and Medicinal Chemistry Letters
Pergamon-Elsevier Science Ltd, Oxford., 27(9), 2018-2022.
https://doi.org/10.1016/j.bmcl.2017.03.007

Villalta-Romero F, Borro L, Mandić B, Escalante T, Rucavado A, Gutierrez JM, Nešić G, Tasić L. Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests. in Bioorganic and Medicinal Chemistry Letters. 2017;27(9):2018-2022.
doi:10.1016/j.bmcl.2017.03.007 .

Villalta-Romero, Fabian, Borro, Luiz, Mandić, Boris, Escalante, Teresa, Rucavado, Alexandra, Gutierrez, Jose Maria, Nešić, Goran, Tasić, Ljubica, "Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests" in Bioorganic and Medicinal Chemistry Letters, 27, no. 9 (2017):2018-2022,
https://doi.org/10.1016/j.bmcl.2017.03.007 . .

TY  - JOUR
AU  - Villalta-Romero, Fabian
AU  - Borro, Luiz
AU  - Mandić, Boris
AU  - Escalante, Teresa
AU  - Rucavado, Alexandra
AU  - Gutierrez, Jose Maria
AU  - Nešić, Goran
AU  - Tasić, Ljubica
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3001
AB  - Snakebites represent an important public health problem, with a great number of victims with permanent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom metalloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutralizing them rapidly and locally by antivenoms, the search and design of small molecules as inhibitors of SVMPs are proposed. The Bothrops asper metalloprotease P1 (BaP1) is hereby used as a target protein and by High Throughput Virtual Screening (HTVS) approach, the free access virtual libraries: ZINC, PubChem and ChEMBL, were searched for potent small molecule inhibitors. Results from the aforementioned approaches provided strong evidences on the structural requirements for the efficient BaP1 inhibition such as the presence of the pyrimidine-2,4,6-trione moiety. The two proposed compounds have also shown excellent results in performed in vitro interaction studies against BaPl.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Bioorganic and Medicinal Chemistry Letters
T1  - Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests
VL  - 27
IS  - 9
SP  - 2018
EP  - 2022
DO  - 10.1016/j.bmcl.2017.03.007
ER  - 

@article{
author = "Villalta-Romero, Fabian and Borro, Luiz and Mandić, Boris and Escalante, Teresa and Rucavado, Alexandra and Gutierrez, Jose Maria and Nešić, Goran and Tasić, Ljubica",
year = "2017",
abstract = "Snakebites represent an important public health problem, with a great number of victims with permanent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom metalloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutralizing them rapidly and locally by antivenoms, the search and design of small molecules as inhibitors of SVMPs are proposed. The Bothrops asper metalloprotease P1 (BaP1) is hereby used as a target protein and by High Throughput Virtual Screening (HTVS) approach, the free access virtual libraries: ZINC, PubChem and ChEMBL, were searched for potent small molecule inhibitors. Results from the aforementioned approaches provided strong evidences on the structural requirements for the efficient BaP1 inhibition such as the presence of the pyrimidine-2,4,6-trione moiety. The two proposed compounds have also shown excellent results in performed in vitro interaction studies against BaPl.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Bioorganic and Medicinal Chemistry Letters",
title = "Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests",
volume = "27",
number = "9",
pages = "2018-2022",
doi = "10.1016/j.bmcl.2017.03.007"
}

Villalta-Romero, F., Borro, L., Mandić, B., Escalante, T., Rucavado, A., Gutierrez, J. M., Nešić, G.,& Tasić, L.. (2017). Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests. in Bioorganic and Medicinal Chemistry Letters
Pergamon-Elsevier Science Ltd, Oxford., 27(9), 2018-2022.
https://doi.org/10.1016/j.bmcl.2017.03.007

Villalta-Romero F, Borro L, Mandić B, Escalante T, Rucavado A, Gutierrez JM, Nešić G, Tasić L. Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests. in Bioorganic and Medicinal Chemistry Letters. 2017;27(9):2018-2022.
doi:10.1016/j.bmcl.2017.03.007 .

Villalta-Romero, Fabian, Borro, Luiz, Mandić, Boris, Escalante, Teresa, Rucavado, Alexandra, Gutierrez, Jose Maria, Nešić, Goran, Tasić, Ljubica, "Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests" in Bioorganic and Medicinal Chemistry Letters, 27, no. 9 (2017):2018-2022,
https://doi.org/10.1016/j.bmcl.2017.03.007 . .

TY  - DATA
AU  - Villalta-Romero, Fabian
AU  - Borro, Luiz
AU  - Mandić, Boris
AU  - Escalante, Teresa
AU  - Rucavado, Alexandra
AU  - Gutierrez, Jose Maria
AU  - Nešić, Goran
AU  - Tasić, Ljubica
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3002
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Bioorganic and Medicinal Chemistry Letters
T1  - Supplementary data for article: Villalta-Romero, F.; Borro, L.; Mandić, B.; Escalante, T.; Rucavado, A.; Gutierrez, J. M.; Neshich, G.; Tasic, L. Discovery of Small Molecule Inhibitors for the Snake Venom Metalloprotease BaP1 Using in Silico and in Vitro Tests. Bioorganic and Medicinal Chemistry Letters 2017, 27 (9), 2018–2022.  https://doi.org/10.1016/j.bmcl.2017.03.007
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3002
ER  - 

@misc{
author = "Villalta-Romero, Fabian and Borro, Luiz and Mandić, Boris and Escalante, Teresa and Rucavado, Alexandra and Gutierrez, Jose Maria and Nešić, Goran and Tasić, Ljubica",
year = "2017",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Bioorganic and Medicinal Chemistry Letters",
title = "Supplementary data for article: Villalta-Romero, F.; Borro, L.; Mandić, B.; Escalante, T.; Rucavado, A.; Gutierrez, J. M.; Neshich, G.; Tasic, L. Discovery of Small Molecule Inhibitors for the Snake Venom Metalloprotease BaP1 Using in Silico and in Vitro Tests. Bioorganic and Medicinal Chemistry Letters 2017, 27 (9), 2018–2022.  https://doi.org/10.1016/j.bmcl.2017.03.007",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3002"
}

Villalta-Romero, F., Borro, L., Mandić, B., Escalante, T., Rucavado, A., Gutierrez, J. M., Nešić, G.,& Tasić, L.. (2017). Supplementary data for article: Villalta-Romero, F.; Borro, L.; Mandić, B.; Escalante, T.; Rucavado, A.; Gutierrez, J. M.; Neshich, G.; Tasic, L. Discovery of Small Molecule Inhibitors for the Snake Venom Metalloprotease BaP1 Using in Silico and in Vitro Tests. Bioorganic and Medicinal Chemistry Letters 2017, 27 (9), 2018–2022.  https://doi.org/10.1016/j.bmcl.2017.03.007. in Bioorganic and Medicinal Chemistry Letters
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3002

Villalta-Romero F, Borro L, Mandić B, Escalante T, Rucavado A, Gutierrez JM, Nešić G, Tasić L. Supplementary data for article: Villalta-Romero, F.; Borro, L.; Mandić, B.; Escalante, T.; Rucavado, A.; Gutierrez, J. M.; Neshich, G.; Tasic, L. Discovery of Small Molecule Inhibitors for the Snake Venom Metalloprotease BaP1 Using in Silico and in Vitro Tests. Bioorganic and Medicinal Chemistry Letters 2017, 27 (9), 2018–2022.  https://doi.org/10.1016/j.bmcl.2017.03.007. in Bioorganic and Medicinal Chemistry Letters. 2017;.
https://hdl.handle.net/21.15107/rcub_cherry_3002 .

Villalta-Romero, Fabian, Borro, Luiz, Mandić, Boris, Escalante, Teresa, Rucavado, Alexandra, Gutierrez, Jose Maria, Nešić, Goran, Tasić, Ljubica, "Supplementary data for article: Villalta-Romero, F.; Borro, L.; Mandić, B.; Escalante, T.; Rucavado, A.; Gutierrez, J. M.; Neshich, G.; Tasic, L. Discovery of Small Molecule Inhibitors for the Snake Venom Metalloprotease BaP1 Using in Silico and in Vitro Tests. Bioorganic and Medicinal Chemistry Letters 2017, 27 (9), 2018–2022.  https://doi.org/10.1016/j.bmcl.2017.03.007" in Bioorganic and Medicinal Chemistry Letters (2017),
https://hdl.handle.net/21.15107/rcub_cherry_3002 .