Chemical constituents from Picrasma quassioides (D.Don) Benn. and their network analysis of chemotaxonomic significance

Ren, Jing-Xian; Bai, Ming; Zhao, Wen‐Yu; Huang, Xiao‐Xiao; Song, Shao‐Jiang

doi:10.1016/j.bse.2020.104160

Cited by 7 publications

(3 citation statements)

References 47 publications

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“…Phytochemical studies showed that alkaloids (β-carbolines, canthinones, and cinnamamides), triterpenoids (quassinoids, apotirucallanes, tirucallanes, and apotirucallanes), neolignans, and flavonoids are the major compounds in PQ (Jiao et al, 2010a;Xu et al, 2016;Bai et al, 2020;Mohd Jamil et al, 2020;Ren et al, 2020). They exhibit antitumor (Xie et al, 2020), antiinflammatory (Jiao et al, 2011), antimicrobial (Chen et al, 2009b;Zhang J. et al, 2019), antiparasitic (Curcino Vieira and Braz-Felho, 2006), anti-dyspepsia (Babu Rao et al, 2013), antihypertensive (Zhao et al, 2013), anti-asthma (Shin et al, 2014), antioxidant (Jung et al, 2012), anti-osteoporosis (Kong et al, 2017), neuroprotective (Zhao et al, 2019c;Guo et al, 2019), and other biological activities.…”

Section: Introductionmentioning

confidence: 99%

Bioassay-Guided Interpretation of Antimicrobial Compounds in Kumu, a TCM Preparation From Picrasma quassioides’ Stem via UHPLC-Orbitrap-Ion Trap Mass Spectrometry Combined With Fragmentation and Retention Time Calculation

Peng

et al. 2021

Front. Pharmacol.

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The stem of Picrasma quassioides (PQ) was recorded as a prominent traditional Chinese medicine, Kumu, which was effective for microbial infection, inflammation, fever, and dysentery, etc. At present, Kumu is widely used in China to develop different medicines, even as injection (Kumu zhusheye), for combating infections. However, the chemical basis of its antimicrobial activity has still not been elucidated. To examine the active chemicals, its stem was extracted to perform bioassay-guided purification against Staphylococcus aureus and Escherichia coli. In this study, two types of columns (normal and reverse-phase) were used for speedy bioassay-guided isolation from Kumu, and the active peaks were collected and identified via an UHPLC-Orbitrap-Ion Trap Mass Spectrometer, combined with MS Fragmenter and ChromGenius. For identification, the COCONUT Database (largest database of natural products) and a manually built PQ database were used, in combination with prediction and calculation of mass fragmentation and retention time to better infer their structures, especially for isomers. Moreover, three standards were analyzed under different conditions for developing and validating the MS method. A total of 25 active compounds were identified, including 24 alkaloids and 1 triterpenoid against S. aureus, whereas only β-carboline-1-carboxylic acid and picrasidine S were active against E. coli. Here, the good antimicrobial activity of 18 chemicals was reported for the first time. Furthermore, the spectrum of three abundant β-carbolines was assessed via their IC50 and MBC against various human pathogens. All of them exhibited strong antimicrobial activities with good potential to be developed as antibiotics. This study clearly showed the antimicrobial chemical basis of Kumu, and the results demonstrated that HRMS coupled with MS Fragmenter and ChromGenius was a powerful tool for compound analysis, which can be used for other complex samples. Beta-carbolines reported here are important lead compounds in antibiotic discovery.

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Section: Introductionmentioning

confidence: 99%

Bioassay-Guided Interpretation of Antimicrobial Compounds in Kumu, a TCM Preparation From Picrasma quassioides’ Stem via UHPLC-Orbitrap-Ion Trap Mass Spectrometry Combined With Fragmentation and Retention Time Calculation

Peng

et al. 2021

Front. Pharmacol.

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“…The literature suggests that the study on P . quassioides is associated with a larger scientific effort to identify bioactive compounds with distinctive structural properties from natural sources [ 17 , 18 ].…”

Section: Introductionmentioning

confidence: 99%

“…This result supports the medicinal application of the extract of Kumu (P. quassioides' stem) as an antibacterial agent and it offers an intriguing foundation for advancing the development of powerful and targeted antibacterial agents. The literature suggests that the study on P. quassioides is associated with a larger scientific effort to identify bioactive compounds with distinctive structural properties from natural sources [17,18].…”

Section: Introductionmentioning

confidence: 99%

Exploration of Type III effector Xanthomonas outer protein Q (XopQ) inhibitor from Picrasma quassioides as an antibacterial agent using chemoinformatics analysis

Revanasiddappa,

Gowtham,

G. S.

et al. 2024

PLoS ONE

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The present study was focused on exploring the efficient inhibitors of closed state (form) of type III effector Xanthomonas outer protein Q (XopQ) (PDB: 4P5F) from the 44 phytochemicals of Picrasma quassioides using cutting-edge computational analysis. Among them, Kumudine B showed excellent binding energy (−11.0 kcal/mol), followed by Picrasamide A, Quassidine I and Quassidine J with the targeted closed state of XopQ protein compared to the reference standard drug (Streptomycin). The molecular dynamics (MD) simulations performed at 300 ns validated the stability of top lead ligands (Kumudine B, Picrasamide A, and Quassidine I)-bound XopQ protein complex with slightly lower fluctuation than Streptomycin. The MM-PBSA calculation confirmed the strong interactions of top lead ligands (Kumudine B and QuassidineI) with XopQ protein, as they offered the least binding energy. The results of absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis confirmed that Quassidine I, Kumudine B and Picrasamide A were found to qualify most of the drug-likeness rules with excellent bioavailability scores compared to Streptomycin. Results of the computational studies suggested that Kumudine B, Picrasamide A, and Quassidine I could be considered potential compounds to design novel antibacterial drugs against X. oryzae infection. Further in vitro and in vivo antibacterial activities of Kumudine B, Picrasamide A, and Quassidine I are required to confirm their therapeutic potentiality in controlling the X. oryzae infection.

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Triterpenoid saponins from Panax zingiberesis and their network analysis of their chemotaxonomic significance

Xiaojing

Li²,

Ma³

et al. 2022

Biochemical Systematics and Ecology

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Chemical constituents from Picrasma quassioides (D.Don) Benn. and their network analysis of chemotaxonomic significance

Cited by 7 publications

References 47 publications

Bioassay-Guided Interpretation of Antimicrobial Compounds in Kumu, a TCM Preparation From Picrasma quassioides’ Stem via UHPLC-Orbitrap-Ion Trap Mass Spectrometry Combined With Fragmentation and Retention Time Calculation

Bioassay-Guided Interpretation of Antimicrobial Compounds in Kumu, a TCM Preparation From Picrasma quassioides’ Stem via UHPLC-Orbitrap-Ion Trap Mass Spectrometry Combined With Fragmentation and Retention Time Calculation

Exploration of Type III effector Xanthomonas outer protein Q (XopQ) inhibitor from Picrasma quassioides as an antibacterial agent using chemoinformatics analysis

Triterpenoid saponins from Panax zingiberesis and their network analysis of their chemotaxonomic significance

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