Статья

Potential inhibitors of protease 3CLpro virus COVID-19: drug reposition

V. Skvortsov, D. Druzhilovskiy, A. Veselovsky,
2020

Pneumonia caused by the COVID-19 virus has led to quick search of drugs that would able to block the spread of this virus. A standard way of drug development is a long process. One approach that can significantly accelerate drug development is drug reposition. In this study a virtual screening of the database of approved drugs has been used for search inhibitors against 3СLpro COVID-19, the main protease of COVID-19. Molecular docking, simulation of molecular dynamics and binding energy estimation by MM-GBSA method allowed to select several compounds for further experimental testing. The most promising drugs are the HIV protease inhibitor Indinavir, the inhibitor of protease hepatitis C Telaprevir, the antiulcer drug Dalargin, and the ErB receptor tyrosine kinase inhibitor Neratinib

Цитирование

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Версии

  • 1. Version of Record от 2020-04-01

Метаданные

Об авторах
  • V. Skvortsov
    Institute of Biomedical Chemistry, Moscow, Russia; Institute of Physiologically Active Compounds, Chernogolovka, Russia
  • D. Druzhilovskiy
    Institute of Biomedical Chemistry, Moscow, Russia
  • A. Veselovsky
    Institute of Biomedical Chemistry, Moscow, Russia; Institute of Physiologically Active Compounds, Chernogolovka, Russia
Название журнала
  • Biomedical Chemistry Research and Methods
Том
  • 3
Выпуск
  • 1
Страницы
  • e00124
Издатель
  • Institute of Biochemistry
Тип документа
  • journal article
Тип лицензии Creative Commons
  • CC BY
Правовой статус документа
  • Свободная лицензия
Источник
  • dimensions