New Pyrazine Conjugates: Synthesis, Computational Studies, and Antiviral Properties against SARS-CoV-2

Israa A. Seliem, Adel S. Girgis, Yassmin Moatasim, Ahmed Kandeil, Ahmed Mostafa, Mohamed A. Ali, Mohamed S. Bekheit, Siva S. Panda

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

Currently, limited therapeutic options are available for severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). We have developed a set of pyrazine-based small molecules. A series of pyrazine conjugates was synthesized by microwave-assisted click chemistry and benzotriazole chemistry. All the synthesized conjugates were screened against the SAR-CoV-2 virus and their cytotoxicity was determined. Computational studies were carried out to validate the biological data. Some of the pyrazine-triazole conjugates (5 d–g) and (S)-N-(1-(benzo[d]thiazol-2-yl)-2-phenylethyl)pyrazine-2-carboxamide 12 i show significant potency against SARS-CoV-2 among the synthesized conjugates. The selectivity index (SI) of potent conjugates indicates significant efficacy compared to the reference drug (Favipiravir).

Original languageEnglish (US)
Pages (from-to)3418-3427
Number of pages10
JournalChemMedChem
Volume16
Issue number22
DOIs
StatePublished - Nov 19 2021

Keywords

  • 1,2,3-Triazole
  • Benzothiazole
  • Computational studies
  • Pyrazine
  • SARS-CoV-2

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Pharmacology
  • Drug Discovery
  • Pharmacology, Toxicology and Pharmaceutics(all)
  • Organic Chemistry

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