1. Myrtucommulones and Related Acylphloroglucinols from Myrtaceae as a Promising Source of Multitarget SARS-CoV-2 Cycle Inhibitors.
- Author
-
Mendonça, Simony Carvalho, Gomes, Brendo Araujo, Campos, Mariana Freire, da Fonseca, Thamirys Silva, Esteves, Maria Eduarda Alves, Andriolo, Bruce Veiga, Cheohen, Caio Felipe de Araujo Ribas, Constant, Larissa Esteves Carvalho, da Silva Costa, Stephany, Calil, Pedro Telles, Tucci, Amanda Resende, Oliveira, Thamara Kelcya Fonseca de, Rosa, Alice dos Santos, Ferreira, Vivian Neuza dos Santos, Lima, Julia Nilo Henrique, Miranda, Milene Dias, da Costa, Luciana Jesus, da Silva, Manuela Leal, Scotti, Marcus Tullius, and Allonso, Diego
- Subjects
MYRTACEAE ,SARS-CoV-2 ,PLANT extracts ,VIRAL replication ,PARTIAL least squares regression - Abstract
The LABEXTRACT plant extract bank, featuring diverse members of the Myrtaceae family from Brazilian hot spot regions, provides a promising avenue for bioprospection. Given the pivotal roles of the Spike protein and 3CL
pro and PLpro proteases in SARS-CoV-2 infection, this study delves into the correlations between the Myrtaceae species from the Atlantic Forest and these targets, as well as an antiviral activity through both in vitro and in silico analyses. The results uncovered notable inhibitory effects, with Eugenia prasina and E. mosenii standing out, while E. mosenii proved to be multitarget, presenting inhibition values above 72% in the three targets analyzed. All extracts inhibited viral replication in Calu-3 cells (EC50 was lower than 8.3 µg·mL−1 ). Chemometric analyses, through LC-MS/MS, encompassing prediction models and molecular networking, identified potential active compounds, such as myrtucommulones, described in the literature for their antiviral activity. Docking analyses showed that one undescribed myrtucommulone (m/z 841 [M − H]− ) had a higher fitness score when interacting with the targets of this study, including ACE2, Spike, PLpro and 3CLpro of SARS-CoV-2. Also, the study concludes that Myrtaceae extracts, particularly from E. mosenii and E. prasina, exhibit promising inhibitory effects against crucial stages in SARS-CoV-2 infection. Compounds like myrtucommulones emerge as potential anti-SARS-CoV-2 agents, warranting further exploration. [ABSTRACT FROM AUTHOR]- Published
- 2024
- Full Text
- View/download PDF