Β cyclodextrin family found to be promising and cost-effective antiviral agents against SARS-CoV-2 biorxivpreprint CNB_CSIC SARSCoV2 COVID19 Antiviral
By Pooja Toshniwal PahariaNov 18 2022Reviewed by Aimee Molineux In a recent study posted to the bioRxiv* preprint server, researchers identified β-cyclodextrins as a safe and cost-effective drug against severe acute respiratory syndrome coronavirus 2 with a broad spectrum of activity.
The team enlisted 116 drugs that have been used previously for treating pathologies or have demonstrated anti-SARS-CoV-2 efficacy in pre-clinical trials. Molecular modeling was performed to rank 44 compounds that showed the greatest efficacy against several α CoVs and β CoVs, e.g., SARS-CoV-2 and human CoV 229E . The drugs were identified by virology, computational chemistry, transmission electron microscopy , and cell biology techniques.
Furthermore, MTT assays for cell viability assessments and the antiviral efficacy of the identified compounds were evaluated based on IF findings. SARS-CoV-2 variants whose genomic sequences were uploaded in the GISAID database were isolated from nasopharyngeal swab samples in Vero E6 cells, and the supernatant was subjected to genomic sequencing.
OSW-1 anchored efficiently at the active Mpro site with the largest binding energy among all molecules tested. b-CD and OSW-1 localized in the catalytic pocket of Mpro, whereas phytol and U1866A localized in the central pocket of NPC1. Both OSW-1 and b−CD were stable with mean RMSD variations of ca. 2Å and the values were double for phytol and U18666A.
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