TY  - JOUR
AU  - Simić, Katarina
AU  - Miladinović, Zoran P.
AU  - Todorović, Nina
AU  - Trifunović, Snežana S.
AU  - Avramović, Nataša
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6261
AB  - Bipolar disorder (BD) is a brain disorder that causes changes in a person’s mood, energy, and ability to function. It has a prevalence of 60 million people worldwide, and it is among the top 20 diseases with the highest global burden. The complexity of this disease, including diverse genetic, environmental, and biochemical factors, and diagnoses based on the subjective recognition of symptoms without any clinical test of biomarker identification create significant difficulties in understanding and diagnosing BD. A 1H-NMR-based metabolomic study applying chemometrics of serum samples of Serbian patients with BD (33) and healthy controls (39) was explored, providing the identification of 22 metabolites for this disease. A biomarker set including threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose was established for the first time in BD serum samples by an NMR-based metabolomics study. Six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in agreement with the previously determined NMR-based sets of serum biomarkers in Brazilian and/or Chinese patient samples. The same established metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) in three different ethnic and geographic origins (Serbia, Brazil, and China) might have a crucial role in the realization of a universal set of NMR biomarkers for BD.
PB  - MDPI
T2  - Metabolites
T1  - Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients
VL  - 13
IS  - 5
SP  - 607
DO  - 10.3390/metabo13050607
ER  - 

@article{
author = "Simić, Katarina and Miladinović, Zoran P. and Todorović, Nina and Trifunović, Snežana S. and Avramović, Nataša and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag V. and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2023",
abstract = "Bipolar disorder (BD) is a brain disorder that causes changes in a person’s mood, energy, and ability to function. It has a prevalence of 60 million people worldwide, and it is among the top 20 diseases with the highest global burden. The complexity of this disease, including diverse genetic, environmental, and biochemical factors, and diagnoses based on the subjective recognition of symptoms without any clinical test of biomarker identification create significant difficulties in understanding and diagnosing BD. A 1H-NMR-based metabolomic study applying chemometrics of serum samples of Serbian patients with BD (33) and healthy controls (39) was explored, providing the identification of 22 metabolites for this disease. A biomarker set including threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose was established for the first time in BD serum samples by an NMR-based metabolomics study. Six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in agreement with the previously determined NMR-based sets of serum biomarkers in Brazilian and/or Chinese patient samples. The same established metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) in three different ethnic and geographic origins (Serbia, Brazil, and China) might have a crucial role in the realization of a universal set of NMR biomarkers for BD.",
publisher = "MDPI",
journal = "Metabolites",
title = "Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients",
volume = "13",
number = "5",
pages = "607",
doi = "10.3390/metabo13050607"
}

Simić, K., Miladinović, Z. P., Todorović, N., Trifunović, S. S., Avramović, N., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L. V., Tešević, V., Tasić, L.,& Mandić, B.. (2023). Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients. in Metabolites
MDPI., 13(5), 607.
https://doi.org/10.3390/metabo13050607

Simić K, Miladinović ZP, Todorović N, Trifunović SS, Avramović N, Gavrilović A, Jovanović S, Gođevac D, Vujisić LV, Tešević V, Tasić L, Mandić B. Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients. in Metabolites. 2023;13(5):607.
doi:10.3390/metabo13050607 .

Simić, Katarina, Miladinović, Zoran P., Todorović, Nina, Trifunović, Snežana S., Avramović, Nataša, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag V., Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients" in Metabolites, 13, no. 5 (2023):607,
https://doi.org/10.3390/metabo13050607 . .

TY  - JOUR
AU  - Simić, Katarina
AU  - Todorović, Nina
AU  - Trifunović, Snežana S.
AU  - Miladinović, Zoran P.
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Avramović, Nataša
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5613
AB  - Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.
PB  - MDPI
T2  - Metabolites
T1  - NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort
VL  - 12
IS  - 8
SP  - 707
DO  - 10.3390/metabo12080707
ER  - 

@article{
author = "Simić, Katarina and Todorović, Nina and Trifunović, Snežana S. and Miladinović, Zoran P. and Gavrilović, Aleksandra and Jovanović, Silvana and Avramović, Nataša and Gođevac, Dejan and Vujisić, Ljubodrag V. and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2022",
abstract = "Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.",
publisher = "MDPI",
journal = "Metabolites",
title = "NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort",
volume = "12",
number = "8",
pages = "707",
doi = "10.3390/metabo12080707"
}

Simić, K., Todorović, N., Trifunović, S. S., Miladinović, Z. P., Gavrilović, A., Jovanović, S., Avramović, N., Gođevac, D., Vujisić, L. V., Tešević, V., Tasić, L.,& Mandić, B.. (2022). NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. in Metabolites
MDPI., 12(8), 707.
https://doi.org/10.3390/metabo12080707

Simić K, Todorović N, Trifunović SS, Miladinović ZP, Gavrilović A, Jovanović S, Avramović N, Gođevac D, Vujisić LV, Tešević V, Tasić L, Mandić B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. in Metabolites. 2022;12(8):707.
doi:10.3390/metabo12080707 .

Simić, Katarina, Todorović, Nina, Trifunović, Snežana S., Miladinović, Zoran P., Gavrilović, Aleksandra, Jovanović, Silvana, Avramović, Nataša, Gođevac, Dejan, Vujisić, Ljubodrag V., Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort" in Metabolites, 12, no. 8 (2022):707,
https://doi.org/10.3390/metabo12080707 . .

TY  - DATA
AU  - Simić, Katarina
AU  - Todorović, Nina
AU  - Trifunović, Snežana S.
AU  - Miladinović, Zoran P.
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Avramović, Nataša
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5619
AB  - Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.
PB  - MDPI
T2  - Metabolites
T1  - Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.
VL  - 12
IS  - 8
SP  - 707
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5619
ER  - 

@misc{
author = "Simić, Katarina and Todorović, Nina and Trifunović, Snežana S. and Miladinović, Zoran P. and Gavrilović, Aleksandra and Jovanović, Silvana and Avramović, Nataša and Gođevac, Dejan and Vujisić, Ljubodrag V. and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2022",
abstract = "Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.",
publisher = "MDPI",
journal = "Metabolites",
title = "Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.",
volume = "12",
number = "8",
pages = "707",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5619"
}

Simić, K., Todorović, N., Trifunović, S. S., Miladinović, Z. P., Gavrilović, A., Jovanović, S., Avramović, N., Gođevac, D., Vujisić, L. V., Tešević, V., Tasić, L.,& Mandić, B.. (2022). Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.. in Metabolites
MDPI., 12(8), 707.
https://hdl.handle.net/21.15107/rcub_cherry_5619

Simić K, Todorović N, Trifunović SS, Miladinović ZP, Gavrilović A, Jovanović S, Avramović N, Gođevac D, Vujisić LV, Tešević V, Tasić L, Mandić B. Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.. in Metabolites. 2022;12(8):707.
https://hdl.handle.net/21.15107/rcub_cherry_5619 .

Simić, Katarina, Todorović, Nina, Trifunović, Snežana S., Miladinović, Zoran P., Gavrilović, Aleksandra, Jovanović, Silvana, Avramović, Nataša, Gođevac, Dejan, Vujisić, Ljubodrag V., Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707." in Metabolites, 12, no. 8 (2022):707,
https://hdl.handle.net/21.15107/rcub_cherry_5619 .

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 .

TY  - JOUR
AU  - Jovančićević, Branimir
AU  - Tasic, L
AU  - Wehner, H.
AU  - Marković, Dragan A.
AU  - Polić, Predrag S.
PY  - 1998
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/375
AB  - An attempt was made to apply n-alkane distribution parameters in the identification of various organic matter pollution. Comparing the results of GC-analyses of n-alkanes in sewage-polluted river sediments with unpolluted sediments, it was shown that n-alkane distribution and abundance parameters offer a sound basis not only for the identification of oil-derived, but also for non-oil derived organic matter pollution in recent sediments.
PB  - Inst Lebensmitteltechnologie Analytische Chemie, Freising-Weihenstephan
T2  - Fresenius Environmental Bulletin
T1  - n-alkane distribution as a tool in the identification of organic type pollution in river sediments
VL  - 7
IS  - 5-6
SP  - 320
EP  - 326
UR  - https://hdl.handle.net/21.15107/rcub_cherry_375
ER  - 

@article{
author = "Jovančićević, Branimir and Tasic, L and Wehner, H. and Marković, Dragan A. and Polić, Predrag S.",
year = "1998",
abstract = "An attempt was made to apply n-alkane distribution parameters in the identification of various organic matter pollution. Comparing the results of GC-analyses of n-alkanes in sewage-polluted river sediments with unpolluted sediments, it was shown that n-alkane distribution and abundance parameters offer a sound basis not only for the identification of oil-derived, but also for non-oil derived organic matter pollution in recent sediments.",
publisher = "Inst Lebensmitteltechnologie Analytische Chemie, Freising-Weihenstephan",
journal = "Fresenius Environmental Bulletin",
title = "n-alkane distribution as a tool in the identification of organic type pollution in river sediments",
volume = "7",
number = "5-6",
pages = "320-326",
url = "https://hdl.handle.net/21.15107/rcub_cherry_375"
}

Jovančićević, B., Tasic, L., Wehner, H., Marković, D. A.,& Polić, P. S.. (1998). n-alkane distribution as a tool in the identification of organic type pollution in river sediments. in Fresenius Environmental Bulletin
Inst Lebensmitteltechnologie Analytische Chemie, Freising-Weihenstephan., 7(5-6), 320-326.
https://hdl.handle.net/21.15107/rcub_cherry_375

Jovančićević B, Tasic L, Wehner H, Marković DA, Polić PS. n-alkane distribution as a tool in the identification of organic type pollution in river sediments. in Fresenius Environmental Bulletin. 1998;7(5-6):320-326.
https://hdl.handle.net/21.15107/rcub_cherry_375 .

Jovančićević, Branimir, Tasic, L, Wehner, H., Marković, Dragan A., Polić, Predrag S., "n-alkane distribution as a tool in the identification of organic type pollution in river sediments" in Fresenius Environmental Bulletin, 7, no. 5-6 (1998):320-326,
https://hdl.handle.net/21.15107/rcub_cherry_375 .

TY  - JOUR
AU  - Jovančićević, Branimir
AU  - Tasic, L
AU  - Wehner, H.
AU  - Faber, E
AU  - Susic, N
AU  - Polić, Predrag S.
PY  - 1997
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2595
AB  - An attempt was made to determine the origin of soluble organic matter and to identify oil-type pollution, on the basis of n-alkane abundance and distribution patterns in the alkane fractions (determined by gas chromatography, GC), as well as on the basis of the carbon isotope ratio (delta(13)C(PDB)) of dominant n-alkanes (determined by gas chromatography - mass spectrometry, GC-MS). 17 samples of alluvial sediments from three, ecochemically different areas were investigated.
PB  - Inst Lebensmitteltechnologie Analytische Chemie, Freising-Weihenstephan
T2  - Fresenius Environmental Bulletin
T1  - Identification of oil-type pollution in recent sediments
VL  - 6
IS  - 11-12
SP  - 667
EP  - 673
UR  - https://hdl.handle.net/21.15107/rcub_cherry_2595
ER  - 

@article{
author = "Jovančićević, Branimir and Tasic, L and Wehner, H. and Faber, E and Susic, N and Polić, Predrag S.",
year = "1997",
abstract = "An attempt was made to determine the origin of soluble organic matter and to identify oil-type pollution, on the basis of n-alkane abundance and distribution patterns in the alkane fractions (determined by gas chromatography, GC), as well as on the basis of the carbon isotope ratio (delta(13)C(PDB)) of dominant n-alkanes (determined by gas chromatography - mass spectrometry, GC-MS). 17 samples of alluvial sediments from three, ecochemically different areas were investigated.",
publisher = "Inst Lebensmitteltechnologie Analytische Chemie, Freising-Weihenstephan",
journal = "Fresenius Environmental Bulletin",
title = "Identification of oil-type pollution in recent sediments",
volume = "6",
number = "11-12",
pages = "667-673",
url = "https://hdl.handle.net/21.15107/rcub_cherry_2595"
}

Jovančićević, B., Tasic, L., Wehner, H., Faber, E., Susic, N.,& Polić, P. S.. (1997). Identification of oil-type pollution in recent sediments. in Fresenius Environmental Bulletin
Inst Lebensmitteltechnologie Analytische Chemie, Freising-Weihenstephan., 6(11-12), 667-673.
https://hdl.handle.net/21.15107/rcub_cherry_2595

Jovančićević B, Tasic L, Wehner H, Faber E, Susic N, Polić PS. Identification of oil-type pollution in recent sediments. in Fresenius Environmental Bulletin. 1997;6(11-12):667-673.
https://hdl.handle.net/21.15107/rcub_cherry_2595 .

Jovančićević, Branimir, Tasic, L, Wehner, H., Faber, E, Susic, N, Polić, Predrag S., "Identification of oil-type pollution in recent sediments" in Fresenius Environmental Bulletin, 6, no. 11-12 (1997):667-673,
https://hdl.handle.net/21.15107/rcub_cherry_2595 .