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Molecular modeling reveals LQPN-05 inhibits spike protein in SARS-CoV-2, suggesting potential for antiviral therapy.
INTRODUCTION: This study aimed to investigate the potential of LQPN-05, a compound derived from Fridericia platyphylla flowers, as a novel antiviral agent against SARS-CoV-2. METHODS: Molecular modeling and dynamics simulations were used to analyze the interaction between LQPN-05 and the SARS-CoV-2 spike protein. In vitro assays assessed spike protein thermal stability and antiviral activity in infected cells. Cytotoxicity was evaluated in cell lines, and efficacy was further tested in an animal model of SARS-CoV- -2 infection. RESULTS: Simulations revealed favorable binding of LQPN-05 to the spike protein, particularly protomer C. In vitro, LQPN-05 modified the spike protein's melting temperature and inhibited viral replication. The compound showed minimal cytotoxicity and, in vivo, helped maintain animal weight and cellular lung organization per fractal analysis. DISCUSSION: The results signify LQPN-05's potential as a spike protein inhibitor from a natural source. Its efficacy amid concerns of drug resistance is notable. Study limitations include the preliminary nature of the in vivo findings. CONCLUSION: LQPN-05 demonstrates promising anti-SARS-CoV-2 activity, underscoring the value of exploring natural compounds for antiviral therapy against emerging pathogens.
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Lima et al. (2026) studied this question.
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