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

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(2), P. 633 - 633

Published: Jan. 13, 2025

The COVID-19 pandemic has caused over 7 million deaths globally in the past four years. Siparuna spp. (Siparunaceae), which is used Brazilian folk medicine, considered a genus with potential antiviral alternatives. This study explored correlation between phytochemicals leaf extracts (S. ficoides, S. decipiens, glycycarpa, reginae, and cymosa) their against various SARS-CoV-2 targets. In vitro assays examined interactions spike protein ACE2 receptor, protease activity, viral replication inhibition Calu-3 cell models. UHPLC-MS/MS analysis, processed MZmine evaluated chemometrically, revealed isoquinoline alkaloids bulbocapnine, showing promising therapeutic potential. Predictions regarding absorption, distribution, metabolism, excretion, toxicity were conducted, along molecular docking dynamics simulations, to evaluate protein−ligand interaction stability. results confirmed activity of targets, 92% maintaining 70% cellular viability at 200 μg·mL−1 80% achieving more than 50% suppression 50 μg·mL−1. These findings highlight as novel anti-coronavirus agents support need for further exploration, isolation, testing compounds fight COVID-19.

Language: Английский

A review of the role of herbs in managing metabolic syndrome

Discover Food, Journal Year: 2025, Volume and Issue: 5(1)

Published: April 1, 2025

Language: Английский

Integrating chemical similarity and bioequivalence: an overall evaluation of the quality consistency of traditional decoction and dispensing granule decoction of Amomum villosum

Drug Development and Industrial Pharmacy, Journal Year: 2024, Volume and Issue: 50(2), P. 150 - 162

Published: Jan. 9, 2024

This study aims to investigate the quality consistency between traditional decoction (TD) of

Language: Английский