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January 1, 2022Computational and Structural Biotechnology JournalOpen Access

Identification of novel SARS-CoV-2 RNA dependent RNA polymerase (RdRp) inhibitors: From in silico screening to experimentally validated inhibitory activity

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Key result

In silico screening and experimental validation identified three compounds with promising antiviral activity against SARS-CoV-2, with the most promising candidate showing an EC50 of 5.04 µM.

Population

SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) in silico and in vitro models

Design

Preclinical

Authors

TUTanaporn UengwetwanitNational Science and Technology Development AgencyNCNopporn ChutiwitoonchaiNational Science and Technology Development AgencyKWKanin WichapongMaastricht University

Discussion

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Implication

May guide antiviral lead optimization; leaves open clinical translation pending in vivo and human validation.

Structured PICO

P
Population
SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) in silico and in vitro models
I
Intervention
Novel RdRp inhibitors selected from the ZINC ChemDiv database
O
Outcome
Antiviral inhibitory activity (EC50)surrogate

In silico screening and experimental validation identified three novel compounds with promising antiviral activity against SARS-CoV-2 RdRp, providing a foundation for developing new lead compounds.

Cite This Study

Uengwetwanit et al. (2022) studied SARS-CoV-2. SARS-CoV-2 RdRp inhibitors was evaluated on Antiviral activity (half-maximal effective concentration, EC50). In silico screening and experimental validation identified three compounds with promising antiviral activity against SARS-CoV-2, with the most promising candidate showing an EC50 of 5.04 µM.

synapsesocial.com/papers/6ab34a56b9464fcd2c6a7e25https://doi.org/10.1016/j.csbj.2022.02.001
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