Natural Products Inhibit Bacterial Growth and Modulate Quorum-Sensing Systems Las and Rhl in Pseudomonas aeruginosa PA14.

IF 2.5 3区化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY

Chemistry & Biodiversity Pub Date : 2025-10-03 DOI:10.1002/cbdv.202502040

Oswaldo Pablo Martínez-Rodríguez, Rodolfo García-Contreras, Rodrigo Aguayo-Ortiz, Itzel Rubí Yeverino, Carlos A Fajardo-Hernández, Albert D Patiño, Hugo A Hernández Pérez, Mariel Hernández-Garnica, Mario Figueroa

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引用次数: 0

Abstract

Quorum sensing (QS) is a bacterial cell communication system in Pseudomonas aeruginosa, which regulates the production of several virulence factors, including pyocyanin, exoproteases, and biofilm formation. Natural products (NPs) have demonstrated their ability to control QS in different bacteria. This work evaluated the antimicrobial and anti-QS potential of a small library of NPs from Mexican biodiversity against P. aeruginosa PA14. Alternariol 4-methyl ether (12), iridoskyrin (17), and 5,8-epi-dioxyergosta-6,9(11),22-trien-3-ol (39) showed the most potent antimicrobial activity at both test concentrations. Regarding anti-QS activity, fuscin (13), neosartorin (18), 8'-hydroxy zearalenone (21), penicillic acid (26), 5,6-dehydroxypenicillic acid (27), pitholide B (36), and citrinin (38) inhibited pyocyanin production, exoproteases activity, and biofilm formation at the lowest concentration without significantly altering growth. Subsequently, in silico studies of deep-learning molecular docking and molecular dynamics indicated the putative mechanism of action of these compounds through their binding to the ligand-binding domains of LasR and RhlR, target proteins that control QS systems. These results demonstrate that NPs, such as pitholide B (36) and citrinin (38), are potential candidates against P. aeruginosa.

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铜绿假单胞菌PA14中天然产物抑制细菌生长和调节群体感应系统Las和Rhl。

群体感应（Quorum sensing， QS）是铜绿假单胞菌（Pseudomonas aeruginosa）的一种细菌细胞通讯系统，它调节多种毒力因子的产生，包括pyocyanin、外蛋白酶和生物膜的形成。天然产物（NPs）在不同细菌中具有控制QS的能力。本研究评价了墨西哥生物多样性NPs小文库对铜绿假单胞菌PA14的抗菌和抗qs潜力。交替胺醇4-甲基醚（12）、烯都斯基林（17）和5,8-环氧二氧麦角星-6,9(11)，22-三烯-3-醇（39）在两种浓度下均表现出最强的抗菌活性。在抗qs活性方面，fuscin（13）、neosartorin（18）、8′-羟基玉米赤霉烯酮（21）、青霉酸（26）、5,6-去羟基青霉酸（27）、pitholide B（36）和citrinin（38）在最低浓度下抑制了pyocyanin的产生、外蛋白酶活性和生物膜的形成，但没有显著改变生长。随后，深度学习分子对接和分子动力学的计算机研究表明，这些化合物通过与控制QS系统的靶蛋白LasR和RhlR的配体结合域结合，推测了其作用机制。这些结果表明NPs，如pitholide B（36）和citrinin(38)，是抗P. aeruginosa的潜在候选者。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemistry & Biodiversity 环境科学-化学综合

CiteScore

3.40

自引率

10.30%

发文量

475

审稿时长

2.6 months

期刊介绍： Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.