Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants

Piotr H Paw&lstrok;owski Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warszawa, PolandCorrespondence: Piotr H Paw&lstrok;owski Tel +48-22-659-70-72Email piotrp@ibb.waw.plAbstract: The change in the formal charge of 34 SARS-CoV-2 lineages from September 2020 to June 2...

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Autor principal:	Pawłowski PH
Formato:	article
Lenguaje:	EN
Publicado:	Dove Medical Press 2021
Materias:	coronavirus covid-19 sars-cov-2 spike protein s amino acids charge potential energy electrostatic interactions Infectious and parasitic diseases RC109-216
Acceso en línea:	https://doaj.org/article/26407dbcf8cd4aec9f9c12c527348f7a
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spelling	oai:doaj.org-article:26407dbcf8cd4aec9f9c12c527348f7a2021-11-30T18:50:36ZAdditional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants1178-6973https://doaj.org/article/26407dbcf8cd4aec9f9c12c527348f7a2021-12-01T00:00:00Zhttps://www.dovepress.com/additional-positive-electric-residues-in-the-crucial-spike-glycoprotei-peer-reviewed-fulltext-article-IDRhttps://doaj.org/toc/1178-6973Piotr H Paw&lstrok;owski Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warszawa, PolandCorrespondence: Piotr H Paw&lstrok;owski Tel +48-22-659-70-72Email piotrp@ibb.waw.plAbstract: The change in the formal charge of 34 SARS-CoV-2 lineages from September 2020 to June 2021 was analyzed according to the monthly evidence of the European agency. The reported point mutations and small insertions are electrically neutral (17), positive (12), or negative (3). They had been found in the spike glycoprotein S, in the RBD and S1/S2 regions, crucial for initiation of viral infection. The most often observed were positive mutations, especially D614G and E484K, located in the region of S1/S2 junction, and in the receptor-binding domain (RBD), respectively. They are related to G and A switching. Positive mutations are stretching equally in both areas, but in the RBD region, they are more dispersed. In the set of analyzed virus variants, the increasing tendency in the number of positively charged residues in spike protein was observed. Furthermore, the well-documented WHO classes show an increase in the COVID-19 percentage case fatality with the positive increase in the spike crucial region’s total charge. The data mining, applying classifier algorithm based on the artificial neuronal network, confirms that the value and the distribution of additional positive charge in S may be important factors enabling virus impact to immunity. This may be promoted by the stronger long-range electrostatic attraction of the virus particle to the host cell, preceding the infection. The estimation of the potential energy for the RBD approaching the angiotensin-converting enzyme (ACE2) was presented.Keywords: coronavirus, COVID-19, SARS-CoV-2, spike protein S, amino acids, charge, potential energy, electrostatic interactionsPawłowski PHDove Medical Pressarticlecoronaviruscovid-19sars-cov-2spike protein samino acidschargepotential energyelectrostatic interactionsInfectious and parasitic diseasesRC109-216ENInfection and Drug Resistance, Vol Volume 14, Pp 5099-5105 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	coronavirus covid-19 sars-cov-2 spike protein s amino acids charge potential energy electrostatic interactions Infectious and parasitic diseases RC109-216
spellingShingle	coronavirus covid-19 sars-cov-2 spike protein s amino acids charge potential energy electrostatic interactions Infectious and parasitic diseases RC109-216 Pawłowski PH Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants
description	Piotr H Paw&lstrok;owski Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warszawa, PolandCorrespondence: Piotr H Paw&lstrok;owski Tel +48-22-659-70-72Email piotrp@ibb.waw.plAbstract: The change in the formal charge of 34 SARS-CoV-2 lineages from September 2020 to June 2021 was analyzed according to the monthly evidence of the European agency. The reported point mutations and small insertions are electrically neutral (17), positive (12), or negative (3). They had been found in the spike glycoprotein S, in the RBD and S1/S2 regions, crucial for initiation of viral infection. The most often observed were positive mutations, especially D614G and E484K, located in the region of S1/S2 junction, and in the receptor-binding domain (RBD), respectively. They are related to G and A switching. Positive mutations are stretching equally in both areas, but in the RBD region, they are more dispersed. In the set of analyzed virus variants, the increasing tendency in the number of positively charged residues in spike protein was observed. Furthermore, the well-documented WHO classes show an increase in the COVID-19 percentage case fatality with the positive increase in the spike crucial region’s total charge. The data mining, applying classifier algorithm based on the artificial neuronal network, confirms that the value and the distribution of additional positive charge in S may be important factors enabling virus impact to immunity. This may be promoted by the stronger long-range electrostatic attraction of the virus particle to the host cell, preceding the infection. The estimation of the potential energy for the RBD approaching the angiotensin-converting enzyme (ACE2) was presented.Keywords: coronavirus, COVID-19, SARS-CoV-2, spike protein S, amino acids, charge, potential energy, electrostatic interactions
format	article
author	Pawłowski PH
author_facet	Pawłowski PH
author_sort	Pawłowski PH
title	Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants
title_short	Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants
title_full	Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants
title_fullStr	Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants
title_full_unstemmed	Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants
title_sort	additional positive electric residues in the crucial spike glycoprotein s regions of the new sars-cov-2 variants
publisher	Dove Medical Press
publishDate	2021
url	https://doaj.org/article/26407dbcf8cd4aec9f9c12c527348f7a
work_keys_str_mv	AT pawłowskiph additionalpositiveelectricresiduesinthecrucialspikeglycoproteinsregionsofthenewsarscov2variants
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Additional Positive Electric Residues in the Crucial Spike Glycoprotein S Regions of the New SARS-CoV-2 Variants

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