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La mutación N15Y en la proteína E del coronavirus 2 del síndrome respiratorio agudo severo afecta la unión de doxiciclina y rutina / The N15Y mutation in the E protein of severe acute respiratory syndrome coronavirus 2 affects the binding of doxycycline and rutin
Dawood, Ali Adel; Jasim, Bassam Ismael; Al-jalily, Omar.
  • Dawood, Ali Adel; University of Mosul. College of Medicine. Department of Anatomy. Mosul. IQ
  • Jasim, Bassam Ismael; University of Nineveh. College of Medicine. Department of Medicine. Mosul. IQ
  • Al-jalily, Omar; University of Mosul. College of Medicine. Department of Anatomy. Mosul. IQ
Vaccimonitor (La Habana, Print) ; 31(3)sept.-dic. 2022. tab, graf
Article in English | LILACS, CUMED | ID: biblio-1410316
ABSTRACT
The severe acute respiratory syndrome coronavirus 2 genetic variation must be closely monitored. Viral transmission can inevitably result from mutations in the viral genome and functional proteins that aid in the virus's adaptation to the host. This study aimed to look for mutations in the E protein and see how they affected the ligands' molecular docking. Mathematical saturation mutagenesis and other informatics techniques were used. Fourteen severe acute respiratory syndrome coronavirus 2 isolates from Iraq were selected. Doxycycline and rutin were chosen as ligands. In four strains of severe acute respiratory syndrome coronavirus 2, the N15Y mutation was detected in the envelope protein. Depending on the calculation of the amount of energy of the atoms, this mutation is critical in modifying the shape of the protein as well as increasing protein stability. In the single-chain mutation, one pocket was determined, while all pentamer chains had two pockets. The N15Y mutation altered the degree of doxycycline binding by affecting the residue of attachment of the ligands. It also altered the position of the rutin's attachment to the E protein, which has a clear impact on the virion particle(AU)
RESUMEN
La variación genética del coronavirus 2 del síndrome respiratorio agudo severo debe ser monitoreada de cerca. La transmisión viral puede resultar inevitablemente de mutaciones en el genoma viral y proteínas funcionales que ayudan en la adaptación del virus al hospedero. Este estudio tuvo como objetivo buscar mutaciones en la proteína E y ver cómo afectaban el acoplamiento molecular de los ligandos. Se utilizó la mutagénesis de saturación matemática y otras técnicas informáticas. Se seleccionaron 14 aislamientos del coronavirus 2 del síndrome respiratorio agudo severo en Irak. Se eligieron doxiciclina y rutina como ligandos. En cuatro cepas del coronavirus 2 del síndrome respiratorio agudo severo, se detectó la mutación N15Y en la proteína de la envoltura. Dependiendo del cálculo de la cantidad de energía de los átomos, esta mutación es fundamental para modificar la forma de la proteína y aumentar la estabilidad de la proteína. En la mutación de cadena única, se determinó un bolsillo, mientras que todas las cadenas de pentámero tenían dos bolsillos. La mutación N15Y alteró el grado de unión de doxiciclina al afectar el residuo de unión de los ligandos. También alteró la posición de unión de la rutina a la proteína E, lo que tiene un claro impacto en la partícula del virión(AU)
Subject(s)

Full text: Available Index: LILACS (Americas) Main subject: Doxycycline / COVID-19 / Mutation Limits: Female / Humans / Male Language: English Journal: Vaccimonitor (La Habana, Print) Journal subject: Molecular Biology / Epidemiology / Microbiology / Vacinas Year: 2022 Type: Article Affiliation country: Iraq Institution/Affiliation country: University of Mosul/IQ / University of Nineveh/IQ

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Full text: Available Index: LILACS (Americas) Main subject: Doxycycline / COVID-19 / Mutation Limits: Female / Humans / Male Language: English Journal: Vaccimonitor (La Habana, Print) Journal subject: Molecular Biology / Epidemiology / Microbiology / Vacinas Year: 2022 Type: Article Affiliation country: Iraq Institution/Affiliation country: University of Mosul/IQ / University of Nineveh/IQ