Popović, Marta

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  • Popović, Marta (5)
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Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2

Popović, Marko; Popović, Marta; Šekularac, Gavrilo; Pantović Pavlović, Marijana

(Serbian Chemical Society, 2024)

TY  - JOUR
AU  - Popović, Marko
AU  - Popović, Marta
AU  - Šekularac, Gavrilo
AU  - Pantović Pavlović, Marijana
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7619
AB  - Similarly to a phoenix, SARS-CoV-2 has appeared periodically in waves. The new variants that appeared through mutations have suppressed earlier variants, causing new waves of the pandemic. The Omicron BA.2.86 Pirola variant is the latest in the sequence. An increased infectivity was noticed, which results in rapid spreading, as well as decreased pathogenicity, which results in a lower number of severe cases. However, in the public there is a fear of further development of the epidemic. This analysis was made with the goal to assess the risks in the period of early 2024. Mutations that were developed by the BA.2.86 variant have led to a change in empirical formula and thermodynamic properties. The empirical formula of the BA.2.86 virus particle is CH1.639023O0.284130N0.230031P0.006440S0.003765. It is different than those of other variants of SARS-CoV-2, other virus species and cellular organisms. The driving force for virus multiplication, Gibbs energy of biosynthesis, of the BA.2.86 variant is -221.75 kJ C-mol-1. It is more negative than that of its host tissue. According to the biosynthesis phenomenological equation, the more negative Gibbs energy of biosynthesis allows the virus to achieve a greater biosynthesis rate and hijack the host cell metabolism. However, Gibbs energy of biosynthesis of the BA.2.86 variant is similar to those of the CH.1.1 and XBB.1.16 variants. This means that these variants should have similar multiplications rates and thus similar pathogenicity. Therefore, it seems that there is no ground for fear of an extensive spreading of severe forms, but there are reasons for caution and monitoring of the spreading of the epidemic and potential appearance of new mutations. Moreover, unlike the earlier pandemic waves, during the newest pandemic wave, infections with influenza, RSV and BA.2.86 variant simultaneously appeared, which deserves an analysis.
AB  - Слично фениксу, SARS-CoV-2 се периодично појављивао у таласима. Нове варијанте
које су се појавиле кроз мутације потиснуле су раније варијанте, што је изазвало нове таласе
пандемије. Омикрон BA.2.86 Пирола варијанта је најновија у низу. Уочена је повећана
инфективност, што резултира брзим ширењем, као и смањена патогеност, што резултира
мањим бројем тешких случајева. Међутим, у јавности постоји страх од даљег развоја
епидемије. Ова анализа је урађена са циљем да се процене ризици у периоду од почетка
2024. године. Мутације које је развила варијанта BA.2.86 довеле су до промене емпиријске
формуле и термодинамичких особина. Емпиријска формула BA.2.86 вирусне честице је
CH1.639023O0.284130N0.230031P0.006440S0.003765. Она се разликује се од других варијанти SARS-CoV-2,
других врста вируса и ћелијских организама. Driving force за умножавање вируса, Гибсова
енергија биосинтезе, варијанте BA.2.86 је -221,75 kJ C-mol-1. Она је негативнија од Гибсове
енергије биосинтезе ткива домаћина. Према феноменолошкој једначини биосинтезе,
негативнија Гибсова енергија биосинтезе омогућава вирусу да постигне већу брзину
биосинтезе и преузме метаболизам ћелије домаћина. Међутим, Гибсова енергија
биосинтезе варијанте BA.2.86 је слична оној код варијанти CH.1.1 и XBB.1.16. То значи да
ове варијанте треба да имају сличне брзине размножавања, а самим тим и сличну
патогеност. Дакле, чини се да нема основа за страх од екстензивног ширења тешких облика,
али постоје разлози за опрез и праћење ширења епидемије и потенцијалне појаве нових
мутација. Штавише, за разлику од ранијих пандемијских таласа, током најновијег
пандемијског таласа, истовремено су се појавиле инфекције инфлуенце, RSV и варијанте
BA.2.86, што заслужује анализу.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2
T1  - ОМИКРОН BA.2.86 ПИРОЛА НОЋНА МОРА: ЕМПИРИЈСКЕ ФОРМУЛЕ И ТЕРМОДИНАМИЧКЕ ОСОБИНЕ (ЕНТАЛПИЈА, ЕНТРОПИЈА И ГИБСОВА ЕНЕРГИЈА) НУКЛЕОКАПСИДА, ВИРУСНЕ ЧЕСТИЦЕ И БИОСИНТЕЗЕ BA.2.86 ПИРОЛА ВАРИЈАНТЕ
DO  - 10.2298/JSC240322051P
ER  - 
@article{
author = "Popović, Marko and Popović, Marta and Šekularac, Gavrilo and Pantović Pavlović, Marijana",
year = "2024",
abstract = "Similarly to a phoenix, SARS-CoV-2 has appeared periodically in waves. The new variants that appeared through mutations have suppressed earlier variants, causing new waves of the pandemic. The Omicron BA.2.86 Pirola variant is the latest in the sequence. An increased infectivity was noticed, which results in rapid spreading, as well as decreased pathogenicity, which results in a lower number of severe cases. However, in the public there is a fear of further development of the epidemic. This analysis was made with the goal to assess the risks in the period of early 2024. Mutations that were developed by the BA.2.86 variant have led to a change in empirical formula and thermodynamic properties. The empirical formula of the BA.2.86 virus particle is CH1.639023O0.284130N0.230031P0.006440S0.003765. It is different than those of other variants of SARS-CoV-2, other virus species and cellular organisms. The driving force for virus multiplication, Gibbs energy of biosynthesis, of the BA.2.86 variant is -221.75 kJ C-mol-1. It is more negative than that of its host tissue. According to the biosynthesis phenomenological equation, the more negative Gibbs energy of biosynthesis allows the virus to achieve a greater biosynthesis rate and hijack the host cell metabolism. However, Gibbs energy of biosynthesis of the BA.2.86 variant is similar to those of the CH.1.1 and XBB.1.16 variants. This means that these variants should have similar multiplications rates and thus similar pathogenicity. Therefore, it seems that there is no ground for fear of an extensive spreading of severe forms, but there are reasons for caution and monitoring of the spreading of the epidemic and potential appearance of new mutations. Moreover, unlike the earlier pandemic waves, during the newest pandemic wave, infections with influenza, RSV and BA.2.86 variant simultaneously appeared, which deserves an analysis., Слично фениксу, SARS-CoV-2 се периодично појављивао у таласима. Нове варијанте
које су се појавиле кроз мутације потиснуле су раније варијанте, што је изазвало нове таласе
пандемије. Омикрон BA.2.86 Пирола варијанта је најновија у низу. Уочена је повећана
инфективност, што резултира брзим ширењем, као и смањена патогеност, што резултира
мањим бројем тешких случајева. Међутим, у јавности постоји страх од даљег развоја
епидемије. Ова анализа је урађена са циљем да се процене ризици у периоду од почетка
2024. године. Мутације које је развила варијанта BA.2.86 довеле су до промене емпиријске
формуле и термодинамичких особина. Емпиријска формула BA.2.86 вирусне честице је
CH1.639023O0.284130N0.230031P0.006440S0.003765. Она се разликује се од других варијанти SARS-CoV-2,
других врста вируса и ћелијских организама. Driving force за умножавање вируса, Гибсова
енергија биосинтезе, варијанте BA.2.86 је -221,75 kJ C-mol-1. Она је негативнија од Гибсове
енергије биосинтезе ткива домаћина. Према феноменолошкој једначини биосинтезе,
негативнија Гибсова енергија биосинтезе омогућава вирусу да постигне већу брзину
биосинтезе и преузме метаболизам ћелије домаћина. Међутим, Гибсова енергија
биосинтезе варијанте BA.2.86 је слична оној код варијанти CH.1.1 и XBB.1.16. То значи да
ове варијанте треба да имају сличне брзине размножавања, а самим тим и сличну
патогеност. Дакле, чини се да нема основа за страх од екстензивног ширења тешких облика,
али постоје разлози за опрез и праћење ширења епидемије и потенцијалне појаве нових
мутација. Штавише, за разлику од ранијих пандемијских таласа, током најновијег
пандемијског таласа, истовремено су се појавиле инфекције инфлуенце, RSV и варијанте
BA.2.86, што заслужује анализу.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2, ОМИКРОН BA.2.86 ПИРОЛА НОЋНА МОРА: ЕМПИРИЈСКЕ ФОРМУЛЕ И ТЕРМОДИНАМИЧКЕ ОСОБИНЕ (ЕНТАЛПИЈА, ЕНТРОПИЈА И ГИБСОВА ЕНЕРГИЈА) НУКЛЕОКАПСИДА, ВИРУСНЕ ЧЕСТИЦЕ И БИОСИНТЕЗЕ BA.2.86 ПИРОЛА ВАРИЈАНТЕ",
doi = "10.2298/JSC240322051P"
}
Popović, M., Popović, M., Šekularac, G.,& Pantović Pavlović, M.. (2024). Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2. in Journal of the Serbian Chemical Society
Serbian Chemical Society..
https://doi.org/10.2298/JSC240322051P
Popović M, Popović M, Šekularac G, Pantović Pavlović M. Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2. in Journal of the Serbian Chemical Society. 2024;.
doi:10.2298/JSC240322051P .
Popović, Marko, Popović, Marta, Šekularac, Gavrilo, Pantović Pavlović, Marijana, "Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2" in Journal of the Serbian Chemical Society (2024),
https://doi.org/10.2298/JSC240322051P . .

Supplementary material to Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2

Popović, Marko; Popović, Marta; Šekularac, Gavrilo; Pantović Pavlović, Marijana

(Serbian Chemical Society, 2024)

TY  - JOUR
AU  - Popović, Marko
AU  - Popović, Marta
AU  - Šekularac, Gavrilo
AU  - Pantović Pavlović, Marijana
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7620
AB  - All genome sequences and associated metadata in this dataset are published
in GISAID’s EpiCoV database. To view the contributors of each individual
sequence with details such as accession number, Virus name, Collection date,
Originating Lab and Submitting Lab and the list of Authors, visit
10.55876/gis8.230924yd
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Supplementary material to Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2
DO  - 10.2298/JSC240322051P
ER  - 
@article{
author = "Popović, Marko and Popović, Marta and Šekularac, Gavrilo and Pantović Pavlović, Marijana",
year = "2024",
abstract = "All genome sequences and associated metadata in this dataset are published
in GISAID’s EpiCoV database. To view the contributors of each individual
sequence with details such as accession number, Virus name, Collection date,
Originating Lab and Submitting Lab and the list of Authors, visit
10.55876/gis8.230924yd",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Supplementary material to Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2",
doi = "10.2298/JSC240322051P"
}
Popović, M., Popović, M., Šekularac, G.,& Pantović Pavlović, M.. (2024). Supplementary material to Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2. in Journal of the Serbian Chemical Society
Serbian Chemical Society..
https://doi.org/10.2298/JSC240322051P
Popović M, Popović M, Šekularac G, Pantović Pavlović M. Supplementary material to Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2. in Journal of the Serbian Chemical Society. 2024;.
doi:10.2298/JSC240322051P .
Popović, Marko, Popović, Marta, Šekularac, Gavrilo, Pantović Pavlović, Marijana, "Supplementary material to Omicron BA.2.86 Pirola nightmare: Empirical formulas and thermodynamic properties (enthalpy, entropy and Gibbs energy) of nucleocapsid, virus particle and biosynthesis of BA.2.86 Pirola variant of SARS-CoV-2" in Journal of the Serbian Chemical Society (2024),
https://doi.org/10.2298/JSC240322051P . .

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

Popović, Marko; Šekularac, Gavrilo; Popović, Marta

(Elsevier, 2024)

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 . .
1

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

Popović, Marko; Pantović Pavlović, Marijana; Popović, Marta

(Elsevier, 2023)

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 . .
1
3
3

Strain Wars: Competitive interactions between SARS-CoV-2 strains are explained by Gibbs energy of antigen-receptor binding

Popović, Marko; Popović, Marta

(Elsevier, 2022)

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 . .
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