Chemical constituents and synergistic anti-gout studies on Eurycoma longifolia and potential mechanisms evaluation based on systemic analysis approach

Liu, Ying; Lai, Lantao; Jiang, Yan; Liu, Caihong; Meng, Dali

doi:10.1016/j.bioorg.2019.103302

Cited by 11 publications

(8 citation statements)

References 44 publications

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“…The binding ability, sites, and interactions between compound and target proteins were achieved and analyzed by classical molecular dynamics using AutoDockTools-1.5.6, Pymol 2.3 and Discovery Studio 4.5 Client [77,78]. The 3D chemical structural formulas of candidate compounds were obtained from PubChem and energy minimizing employed to ChemBioDraw 3D.…”

Section: Molecular Dockingmentioning

confidence: 99%

Pharmacological Mechanisms Underlying the Neuroprotective Effects of Alpinia oxyphylla Miq. on Alzheimer’s Disease

Wang

Guo

et al. 2020

IJMS

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Alpinia oxyphylla Miq. (i.e., A. oxyphylla), a traditional Chinese medicine, can exert neuroprotective effects in ameliorating mild cognitive impairment and improving the pathological hallmarks of Alzheimer's disease (AD). Here, 50 active compounds and 164 putative targets were collected and identified with 251 clinically tested AD-associated target proteins using network pharmacology approaches. Based on the Gene Ontology/Kyoto Encyclopedia of Genes and Genomes pathway enrichments, the compound-target-pathway-disease/protein-protein interaction network constructions, and the network topological analysis, we concluded that A. oxyphylla may have neuroprotective effects by regulating neurotransmitter function, as well as brain plasticity in neuronal networks. Moreover, closely-related AD proteins, including the amyloid-beta precursor protein, the estrogen receptor 1, acetylcholinesterase, and nitric oxide synthase 2, were selected as the bottleneck nodes of network for further verification by molecular docking. Our analytical results demonstrated that terpene, as the main compound of A. oxyphylla extract, exerts neuroprotective effects, providing new insights into the development of a natural therapy for the prevention and treatment of AD.

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Section: Molecular Dockingmentioning

confidence: 99%

Pharmacological Mechanisms Underlying the Neuroprotective Effects of Alpinia oxyphylla Miq. on Alzheimer’s Disease

Wang

Guo

et al. 2020

IJMS

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“…Quassinoids in E. longifolia hadhuman urate transporter 1 (URAT1) inhibition activity by reducing blood uric acid levels in induced hyperuricemia animal model (Bao et al, 2019). Study by Liu et al (2019) presented that E. longifolia reduced ankle swelling caused by gout in low and medium doses which indicated that E. longifolia has anti-gout effect.…”

Section: Antigoutmentioning

confidence: 99%

A review of the phytochemical compounds and pharmacological activities of Eurycoma longifolia

Insanu¹,

Pratiwi²,

Fidrianny³

2021

ijrps

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Eurycoma longifolia belongs to Simaroubaceae family. It is a tall tree and has different local name from many countries and this review consisted of their traditional usage, phytochemical compounds and pharmacological activity. A systematic review was conducted to study the scientific work of E. longifolia which published in the last 10 years and minimum 20 articles that published in the last 2 years, published in Pubmed, Scopus etc. also has a digital object identifier (DOI). E. longifolia was a popular traditional medicine. The leaves wasused as supplement for giving birth, its bark as anthelmintic and its roots as antimalaria, laxative, antidiabetic etc.Due to high demand of this plant there are various formula of E. longifolia available in health food market. Many studies have been performed to determine the active constituents and pharmacology activities of E. longifolia. Alkaloid, quassinoid, polyphenols, flavonoid, polysaccharide, triterpenoid were found in E. longifolia. Quassinoids is a major phytochemical compound in E. longifolia which has various types like eurycumanone, eurycomanol, eurycomadilactone and eurylactone. Quassinoids has bitter taste and often found in Simaroubaceae family.Pharmacological activities of E. longifolia such as anti-inflammatory, analgesic, antioxidant, antimicrobial, antidiabetic, anti-osteoporotic activities. The literature review results showed that E. longifolia can be considered as medicinal plant for human. In the future, further studies on mechanism of pharmacology activity of E. longifolia are warranted.

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“…Molecular docking, an important means of modern drug screening, was used to analyze the bind ability of compounds to target proteins [24]. First, the crystal structures of the targets proteins were downloaded from the PDB database (https://www.rcsb.org/) and embellished through the Sybyl-X, including removing the waters and ligands, adding H atoms, optimizing and patching amino acids.…”

Section: Molecular Dockingmentioning

confidence: 99%

Dissection of effect mechanisms of Kudiezi injection against myocardial ischemia based on virtual screening and systems pharmacology approach

Xie

Liu

Shi

et al. 2020

Preprint

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BackgroundKudiezi (KDZ) injection, a Chinese medicine preparation, has been widely used for the treatment of myocardial injury in recent years. However, the knowledge of the molecular mechanisms is limited to support its clinical application. It is of great importance to explore the underlying mechanisms of this preparation. MethodsIn this research, the 10 main ingredients in this injection were identified firstly by HPLC-Q-TOF-MS.Afterwards, virtual screening and an integrated systems pharmacology approach combined with molecular docking (molecular docking software: Sybyl-X 1.3 and Autodock vina) were adopted to predict its therapeutic mechanisms.Results 7 proteins targets and 9 KEGG pathways, possessing highly relevance to the therapeutic effects of KDZ against MI, were predicted reasonably. The systems analysis suggested that KDZ injection could exert its therapeutic effects against myocardial ischemia possibly through multi-targets including EGFR, MAPK10, SRC, et al, and multi-pathways referring to MAPK, Focal adhesion, Complement and coagulation cascades, Fluid shear stress and atherosclerosis, etc. ConclusionThis research provided a scientific basis to clarify the comprehensive pharmacological mechanism of KDZ injection acting on MI, and could provide valuable clues on considering the active ingredient KDZ-6 as a multi-targets leading compound.

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Chemical constituents and synergistic anti-gout studies on Eurycoma longifolia and potential mechanisms evaluation based on systemic analysis approach

Cited by 11 publications

References 44 publications

Pharmacological Mechanisms Underlying the Neuroprotective Effects of Alpinia oxyphylla Miq. on Alzheimer’s Disease

Pharmacological Mechanisms Underlying the Neuroprotective Effects of Alpinia oxyphylla Miq. on Alzheimer’s Disease

A review of the phytochemical compounds and pharmacological activities of Eurycoma longifolia

Dissection of effect mechanisms of Kudiezi injection against myocardial ischemia based on virtual screening and systems pharmacology approach

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