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Updated: Jan 16, 2026
Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
Published on: December 1, 2020
A Dual-Target-Based Screening Strategy for Anti-SARS-CoV-2 Active Compounds Enabling the Identification of
Aoi Kimishima1,2, Terumasa Ikeda3, Otowa Takahashi3
1Graduate School of Infection Control Sciences, Kitasato University, Tokyo 108-8641, Japan.
None:
Toward the development of innovative antiviral drugs, potential dual inhibitors were screened from the O̅mura natural compound library by the use of SARS-CoV-2 3CLpro enzyme activity and SARS-CoV-2 spike trimer-ACE2 ELISA assays. This screening identified macrocyclic peptide natural products, chloropeptins, as potential dual inhibitors. Further evaluation of their anti-SARS-CoV-2 activity against several variants demonstrated their strong potency (IC50 = 2.96-4.36 μM). Pseudovirus and BlaM-Vpr assays utilizing SARS-CoV-2 spike pseudovirus confirmed that chloropeptin 1 effectively blocks viral entry. Additionally, molecular docking simulations revealed that chloropeptins form hydrogen bonds and van der Waals interactions with Lys353 and His34 of ACE2, implicating key roles involved in SARS-CoV-2 spike protein binding. These findings highlight chloropeptins as promising candidates for the development of novel anti-SARS-CoV-2 therapeutics.
