Could boron compounds be effective against SARS-CoV-2?

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ATASEVEN H., SAYIN K., TÜZÜN B., GEDİKLİ M. A.

BRATISLAVA MEDICAL JOURNAL-BRATISLAVSKE LEKARSKE LISTY, cilt.122, sa.10, ss.753-758, 2021 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 122 Sayı: 10
  • Basım Tarihi: 2021
  • Doi Numarası: 10.4149/bll_2021_121
  • Dergi Adı: BRATISLAVA MEDICAL JOURNAL-BRATISLAVSKE LEKARSKE LISTY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, EMBASE, MEDLINE
  • Sayfa Sayıları: ss.753-758
  • Anahtar Kelimeler: boronate ester, dioxaborole, in silico, SARS-CoV-2, MD calculations, DOCKING, GLIDE
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are determined using molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined.