Predicting the Anti-SARS-CoV-2 Potential of Isoquinoline Alkaloids from Brazilian Siparunaceae Species Using Chemometric Tools

Brendo Araujo Gomes,Diegina Araujo Fernandes,Simony Carvalho Mendonca,Mariana Freire Campos,Thamirys Silva da Fonseca, Larissa Esteves Carvalho Constant,Natalia Ferreira de Sousa,Renata Priscila Barros de Menezes, Beatriz Albuquerque Custodio de Oliveira, Stephany da Silva Costa, Giovanna Barbosa Frensel,Alice Santos Rosa, Thamara Kelcya Fonseca Oliveira,Amanda Resende Tucci, Julia Nilo Henrique Lima, Vivian Neuza Santos Ferreira,Milene Dias Miranda,Diego Allonso,Marcus Tullius Scotti,Suzana Guimaraes Leitao,Gilda Guimaraes Leitao

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES（2025）

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Key words

Brazilian folk medicine,<italic>Siparuna</italic> spp.,SARS-CoV-2,UHPLC-MS/MS,chemometric analyses,molecular docking,dynamics simulations,ADMET predictions,bulbocapnine

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