Espectrometria de Massas e Molecular Networking como ferramentas para o estudo da diversidade química de espécies nativas de Passiflora L. (Passifloraceae).

Abstract

The Passifloraceae family, with more than 630 species, is predominant in tropical and subtropical regions, with Passiflora being the most extensive and diverse genus. This study aims to deepen the knowledge about the Passifloraceae family and the metabolic profiles of Passiflora subspecies, known for their rich phytochemical composition, including glycosylated flavonoids, carotenoids, cyanogenic glycosides, alkaloids, steroids, lignans, fatty acids, amino acids, chlorogenic acid derivatives and proanthocyanidins. Initially, we performed a comprehensive review covering studies from 1983 to 2023, offering a detailed overview of the scientific discoveries on the chemical compounds present in the genus Passiflora. Then, we combined mass spectrometry and molecular networking to explore the chemical diversity of native species of the genus Passiflora from Brazil. We developed a comprehensive database using liquid chromatography coupled to mass spectrometry (HPLC-MS/MS) to analyze the metabolic profile of several subspecies. The generated data were submitted to the GNPS platform, which generated a Molecular Networking, in which the same substances were grouped in a single node and the similar ones in clusters. The data generated by the network were dereplicated and also analyzed by multivariate statistical methods, and thus this work revealed metabolic similarities between species, such as P. incarnata, suggesting shared pharmacological potential. We documented 25 species not previously studied, expanding the knowledge about their medicinal properties and opening paths for the development of new products.