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May 23, 2026Zeitschrift für Naturforschung C

Structure activity relationship-guided scaffold hopping for identification of novel thiadiazole derivatives as potent SARS-CoV-2 Mpro inhibitors

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Authors

MAMaher S. AlwethaynaniKAKhaled AlzhraniHSHina Sarfraz

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Overview

Randomized trial identifies new thiadiazole derivatives as effective Mpro inhibitors, suggesting potent antiviral options.

Key Points

  • To develop novel thiadiazole derivatives targeting SARS-CoV-2 Mpro for potential antiviral therapy.
  • Rational design approach utilized to create thiadiazole-based derivatives.
  • A total of various compounds (5a-f, 9a-d, 12a-j) synthesized through three systematic synthetic schemes.
  • Evaluation of compounds' in vitro inhibitory activity against SARS-CoV-2 Mpro.
  • 5b demonstrated an IC50 of 44.63 ± 1.20 µM, 12c showed 39.25 ± 1.60 μM, and 12a had 41.93 ± 1.90 μM.
  • Inhibitory activities of some derivatives were stronger than reference drug Nirmatrelvir (IC50 = 58.4 ± 8.6 μM).
  • Molecular docking confirmed stable binding of synthesized compounds in the Mpro active site.

Cite This Study

Alwethaynani et al. (2026) studied this question.

synapsesocial.com/papers/6a1144ba48a409a3a49deedahttps://doi.org/10.1515/znc-2026-0045
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