Özet:

Purpose: The study of the inhibitor effects and potential of severe acute respiratory syndrome of coronavirus 2 (SARS-CoV-2), human angiotensin-transforming enzyme-2 (ACE-2) and SARS-CoV-2-ACE-2 complex with the molecular docking (canceration) method for the treatment of coronavirus disease-2019 (COVID-19) is the study of the severe acute respiratory syndrome of sedative, analgesic and anesthetic drugs. In this study, a molecular docking procedure was applied to investigate the molecular interaction between the drugs used in clinical tests for COVID-19 treatment (chlorokin, hydroxychlorokin and nelfinavir) and the drugs most commonly used for sedation, analgesia and anesthesia as inhibitors (desfluran, dexmedetomidine, fentanyl, ketamine, midazolam, propofol, remifentanil and sevofluran) and three different enzymes (6LU7, 1R4L and 6LZG). Autodock 4.2, Lamarckian Genetic Algorithm is used to analyze the possibility of molecular interaction. The evaluation was carried out with the Biovia Discovery Studio Visualizer 2020 program. The result of molecular docking was compared by identifying the types and severity of interactions between enzymes and drugs such as hydrogen-electrostatic and van der Waals. Results: The research found that fentanyl, SARS-CoV-2, ACE-2 and SARS-CoV-2-ACE-2 complex were linked with very low energy (-8.75 to -7.64 kcal/mol) and had the potential to inhibit these proteins at low concentrations. After phentanil, it has been shown that midazolam, ketamine, propofol and remifentanil have the potential to inhibit the proteins respectively. But it has been seen that the sevofluran and desfluran are ineffective. The result: we believe that fentanyl can be preferred in the sedation, analgesy and anesthesia procedures to be applied in COVID-19 patients, and for general anesthesia, total intravenous anesthesia can be preferred. However, experimental and clinical trials are required to use these substances in the treatment.

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