TY  - JOUR
AU  - Popović, Marko
AU  - Šekularac, Gavrilo
AU  - Popović, Marta
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7434
AB  - A question is often asked about what tomorrow brings. During the last 4 years of the COVID-19 pandemic, this question was asked with every appearance of a new SARS-CoV-2 variant. It seems that science has an ability to offer a relatively reliable answer. Theoretical and experimental research have allowed a deep insight into structure and function of SARS-CoV-2. Moreover, the developed mechanistic models allow prediction of virus-host interactions. In August 2023, the Omicron BA.2.86 Pirola variant was detected. Taught by the bad experience from 2019 to 2023, when every new variant that appeared during SARS-CoV-2 evolution has caused a new pandemic wave, the question was raised whether this will be the case with the new variant. Research presented in this paper shows that the driving force for antigen-receptor binding of the Omicron BA.2.86 variant is lower than that of the BN.1 and similar to that of the other variants. Based on the presented research, it seems that the new variant will not be more aggressive relative to the previous variants. The movement in the number of newly infected cases in USA in the period between August and mid-October 2023 is in favor of this prediction.
PB  - Elsevier
T2  - Microbial Risk Analysis
T1  - The wind of change: Gibbs energy of binding and infectivity evolution of Omicron BA.2.86 Pirola, EG.5.1, XBB.1.16 Arcturus, CH.1.1 and BN.1 variants of SARS-CoV-2
VL  - 26
SP  - 100290
DO  - 10.1016/j.mran.2024.100290
ER  - 

@article{
author = "Popović, Marko and Šekularac, Gavrilo and Popović, Marta",
year = "2024",
abstract = "A question is often asked about what tomorrow brings. During the last 4 years of the COVID-19 pandemic, this question was asked with every appearance of a new SARS-CoV-2 variant. It seems that science has an ability to offer a relatively reliable answer. Theoretical and experimental research have allowed a deep insight into structure and function of SARS-CoV-2. Moreover, the developed mechanistic models allow prediction of virus-host interactions. In August 2023, the Omicron BA.2.86 Pirola variant was detected. Taught by the bad experience from 2019 to 2023, when every new variant that appeared during SARS-CoV-2 evolution has caused a new pandemic wave, the question was raised whether this will be the case with the new variant. Research presented in this paper shows that the driving force for antigen-receptor binding of the Omicron BA.2.86 variant is lower than that of the BN.1 and similar to that of the other variants. Based on the presented research, it seems that the new variant will not be more aggressive relative to the previous variants. The movement in the number of newly infected cases in USA in the period between August and mid-October 2023 is in favor of this prediction.",
publisher = "Elsevier",
journal = "Microbial Risk Analysis",
title = "The wind of change: Gibbs energy of binding and infectivity evolution of Omicron BA.2.86 Pirola, EG.5.1, XBB.1.16 Arcturus, CH.1.1 and BN.1 variants of SARS-CoV-2",
volume = "26",
pages = "100290",
doi = "10.1016/j.mran.2024.100290"
}

Popović, M., Šekularac, G.,& Popović, M.. (2024). The wind of change: Gibbs energy of binding and infectivity evolution of Omicron BA.2.86 Pirola, EG.5.1, XBB.1.16 Arcturus, CH.1.1 and BN.1 variants of SARS-CoV-2. in Microbial Risk Analysis
Elsevier., 26, 100290.
https://doi.org/10.1016/j.mran.2024.100290

Popović M, Šekularac G, Popović M. The wind of change: Gibbs energy of binding and infectivity evolution of Omicron BA.2.86 Pirola, EG.5.1, XBB.1.16 Arcturus, CH.1.1 and BN.1 variants of SARS-CoV-2. in Microbial Risk Analysis. 2024;26:100290.
doi:10.1016/j.mran.2024.100290 .

Popović, Marko, Šekularac, Gavrilo, Popović, Marta, "The wind of change: Gibbs energy of binding and infectivity evolution of Omicron BA.2.86 Pirola, EG.5.1, XBB.1.16 Arcturus, CH.1.1 and BN.1 variants of SARS-CoV-2" in Microbial Risk Analysis, 26 (2024):100290,
https://doi.org/10.1016/j.mran.2024.100290 . .

TY  - JOUR
AU  - Popović, Marko
AU  - Pantović Pavlović, Marijana
AU  - Popović, Marta
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6981
AB  - Since 2019, when it appeared in Wuhan, in the wild type form later labeled Hu-1, SARS-CoV-2 mutated dozens of times and evolved towards increase in infectivity and decrease or maintenance of constant pathogenicity through dozens of variants. The last of them are Omicron EG.5 and EG.5.1. Until 2019, an empirical formula was known only for the poliovirus. Until now empirical formulas and thermodynamic properties were reported for all variants of SARS-CoV-2 and some other viruses. Also, models were developed that describe the biothermodynamic background of SARS-CoV-2 interaction with its human host. With every new mutation in SARS-CoV-2, the question is raised about the further evolution of the virus. This paper reports for the first time empirical formulas and molar masses of Omicron EG.5 and EG.5.1 variants, as well as thermodynamic properties (enthalpy, entropy and Gibbs energy) of formation and biosynthesis. Moreover, the driving force of virus multiplication was analyzed, as well as multiplication rate and pathogenicity of Omicron EG.5 and EG.5.1.
PB  - Elsevier
T2  - Microbial Risk Analysis
T1  - Eris - another brick in the wall: Empirical formulas, molar masses, biosynthesis reactions, enthalpy, entropy and Gibbs energy of Omicron EG.5 Eris and EG.5.1 variants of SARS-CoV-2
VL  - 25
SP  - 100280
DO  - 10.1016/j.mran.2023.100280
ER  - 

@article{
author = "Popović, Marko and Pantović Pavlović, Marijana and Popović, Marta",
year = "2023",
abstract = "Since 2019, when it appeared in Wuhan, in the wild type form later labeled Hu-1, SARS-CoV-2 mutated dozens of times and evolved towards increase in infectivity and decrease or maintenance of constant pathogenicity through dozens of variants. The last of them are Omicron EG.5 and EG.5.1. Until 2019, an empirical formula was known only for the poliovirus. Until now empirical formulas and thermodynamic properties were reported for all variants of SARS-CoV-2 and some other viruses. Also, models were developed that describe the biothermodynamic background of SARS-CoV-2 interaction with its human host. With every new mutation in SARS-CoV-2, the question is raised about the further evolution of the virus. This paper reports for the first time empirical formulas and molar masses of Omicron EG.5 and EG.5.1 variants, as well as thermodynamic properties (enthalpy, entropy and Gibbs energy) of formation and biosynthesis. Moreover, the driving force of virus multiplication was analyzed, as well as multiplication rate and pathogenicity of Omicron EG.5 and EG.5.1.",
publisher = "Elsevier",
journal = "Microbial Risk Analysis",
title = "Eris - another brick in the wall: Empirical formulas, molar masses, biosynthesis reactions, enthalpy, entropy and Gibbs energy of Omicron EG.5 Eris and EG.5.1 variants of SARS-CoV-2",
volume = "25",
pages = "100280",
doi = "10.1016/j.mran.2023.100280"
}

Popović, M., Pantović Pavlović, M.,& Popović, M.. (2023). Eris - another brick in the wall: Empirical formulas, molar masses, biosynthesis reactions, enthalpy, entropy and Gibbs energy of Omicron EG.5 Eris and EG.5.1 variants of SARS-CoV-2. in Microbial Risk Analysis
Elsevier., 25, 100280.
https://doi.org/10.1016/j.mran.2023.100280

Popović M, Pantović Pavlović M, Popović M. Eris - another brick in the wall: Empirical formulas, molar masses, biosynthesis reactions, enthalpy, entropy and Gibbs energy of Omicron EG.5 Eris and EG.5.1 variants of SARS-CoV-2. in Microbial Risk Analysis. 2023;25:100280.
doi:10.1016/j.mran.2023.100280 .

Popović, Marko, Pantović Pavlović, Marijana, Popović, Marta, "Eris - another brick in the wall: Empirical formulas, molar masses, biosynthesis reactions, enthalpy, entropy and Gibbs energy of Omicron EG.5 Eris and EG.5.1 variants of SARS-CoV-2" in Microbial Risk Analysis, 25 (2023):100280,
https://doi.org/10.1016/j.mran.2023.100280 . .

TY  - JOUR
AU  - Popović, Marko
AU  - Popović, Marta
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6074
AB  - Since the beginning of the COVID-19 pandemic, SARS-CoV-2 has mutated several times into new strains, with an increased infectivity. Infectivity of SARS-CoV-2 strains depends on binding affinity of the virus to its host cell receptor. In this paper, we quantified the binding affinity using Gibbs energy of binding and analyzed the competition between SARS-CoV-2 strains as an interference phenomenon. Gibbs energies of binding were calculated for several SARS-SoV-2 strains, including Hu-1 (wild type), B.1.1.7 (alpha), B.1.351 (beta), P.1 (Gamma), B.1.36 and B.1.617 (Delta). The least negative Gibbs energy of binding is that of Hu-1 strain, -37.97 kJ/mol. On the other hand, the most negative Gibbs energy of binding is that of the Delta strain, -49.50 kJ/mol. We used the more negative Gibbs energy of binding to explain the increased infectivity of newer SARS-CoV-2 strains compared to the wild type. Gibbs energies of binding was found to decrease chronologically, with appearance of new strains. The ratio of Gibbs energies of binding of mutated strains and wild type was used to define a susceptibility coefficient, which is an indicator of viral interference, where a virus can prevent or partially inhibit infection with another virus.
PB  - Elsevier
T2  - Microbial Risk Analysis
T1  - Strain Wars: Competitive interactions between SARS-CoV-2 strains are explained by Gibbs energy of antigen-receptor binding
VL  - 21
SP  - 100202
DO  - 10.1016/j.mran.2022.100202
ER  - 

@article{
author = "Popović, Marko and Popović, Marta",
year = "2022",
abstract = "Since the beginning of the COVID-19 pandemic, SARS-CoV-2 has mutated several times into new strains, with an increased infectivity. Infectivity of SARS-CoV-2 strains depends on binding affinity of the virus to its host cell receptor. In this paper, we quantified the binding affinity using Gibbs energy of binding and analyzed the competition between SARS-CoV-2 strains as an interference phenomenon. Gibbs energies of binding were calculated for several SARS-SoV-2 strains, including Hu-1 (wild type), B.1.1.7 (alpha), B.1.351 (beta), P.1 (Gamma), B.1.36 and B.1.617 (Delta). The least negative Gibbs energy of binding is that of Hu-1 strain, -37.97 kJ/mol. On the other hand, the most negative Gibbs energy of binding is that of the Delta strain, -49.50 kJ/mol. We used the more negative Gibbs energy of binding to explain the increased infectivity of newer SARS-CoV-2 strains compared to the wild type. Gibbs energies of binding was found to decrease chronologically, with appearance of new strains. The ratio of Gibbs energies of binding of mutated strains and wild type was used to define a susceptibility coefficient, which is an indicator of viral interference, where a virus can prevent or partially inhibit infection with another virus.",
publisher = "Elsevier",
journal = "Microbial Risk Analysis",
title = "Strain Wars: Competitive interactions between SARS-CoV-2 strains are explained by Gibbs energy of antigen-receptor binding",
volume = "21",
pages = "100202",
doi = "10.1016/j.mran.2022.100202"
}

Popović, M.,& Popović, M.. (2022). Strain Wars: Competitive interactions between SARS-CoV-2 strains are explained by Gibbs energy of antigen-receptor binding. in Microbial Risk Analysis
Elsevier., 21, 100202.
https://doi.org/10.1016/j.mran.2022.100202

Popović M, Popović M. Strain Wars: Competitive interactions between SARS-CoV-2 strains are explained by Gibbs energy of antigen-receptor binding. in Microbial Risk Analysis. 2022;21:100202.
doi:10.1016/j.mran.2022.100202 .

Popović, Marko, Popović, Marta, "Strain Wars: Competitive interactions between SARS-CoV-2 strains are explained by Gibbs energy of antigen-receptor binding" in Microbial Risk Analysis, 21 (2022):100202,
https://doi.org/10.1016/j.mran.2022.100202 . .