Mechanistic insights of Cucumis melo L. seeds for gastrointestinal muscle spasms through calcium signaling pathway–related gene regulation networks in WGCNA and in vitro, in vivo studies

Wahid, Muqeet; Saqib, Fatima; Akhtar, Saeed; Ali, Anam; Tallei, Trina Ekawati; Simal-Gándara, Jesús

doi:10.1016/j.compbiomed.2023.106596

Cited by 4 publications

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confidence: 98%

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Molecular insights into the anti‐inflammatory activity of fermented pineapple juice using multimodal computational studies

Tallei,

Fatimawali,

Adam

et al. 2023

Archiv der Pharmazie

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Pineapple has been recognized for its potential to enhance health and well‐being. This study aimed to gain molecular insights into the anti‐inflammatory properties of fermented pineapple juice using multimodal computational studies. In this study, pineapple juice was fermented using Lactobacillus paracasei, and the solution underwent liquid chromatography‐mass spectrometry analysis. Network pharmacology was applied to investigate compound interactions and targets. In silico methods assessed compound bioactivities. Protein–protein interactions, network topology, and enrichment analysis identified key compounds. Molecular docking explored compound–receptor interactions in inflammation regulation. Molecular dynamics simulations were conducted to confirm the stability of interactions between the identified crucial compounds and their respective receptors. The study revealed several compounds including short‐chain fatty acids, peptides, dihydroxyeicosatrienoic acids, and glycerides that exhibited promising anti‐inflammatory properties. Leucyl–leucyl–norleucine and Leu–Leu–Tyr exhibited robust and stable interactions with mitogen‐activated protein kinase 14 and IκB kinase β, respectively, indicating their potential as promising therapeutic agents for inflammation modulation. This proposition is grounded in the pivotal involvement of these two proteins in inflammatory signaling pathways. These findings provide valuable insights into the anti‐inflammatory potential of these compounds, serving as a foundation for further experimental validation and exploration. Future studies can build upon these results to advance the development of these compounds as effective anti‐inflammatory agents.

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Section: Discussionmentioning

confidence: 98%

“…In this study, network topology analysis was conducted to gain a deeper understanding of the PPI network. [ 40 ] The median degree, which represents the average number of interactions per target, was found to be 7. This information indicates that, on average, each target in the network interacts with approximately 7 other targets.…”

Section: Discussionmentioning

confidence: 99%

Molecular insights into the anti‐inflammatory activity of fermented pineapple juice using multimodal computational studies

Tallei,

Fatimawali,

Adam

et al. 2023

Archiv der Pharmazie

Self Cite

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Ethnopharmacological basis and pharmacodynamics prospectives for folkloric claims of Rosa webbiana wall. Ex. Royle in diarrhea and asthma via In vitro, In vivo and In silico techniques

Ali

Saqib

2023

Journal of Ethnopharmacology

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Association between Cu/Zn/Iron/Ca/Mg levels and cerebral palsy: a pooled-analysis

Zhu,

Mao,

2023

Sci Rep

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It was well documented that macro/trace elements were associated with the neurodevelopment. We aimed to investigate the relationship between copper (Cu)/zinc (Zn)/iron/calcium (Ca)/magnesium (Mg) levels and cerebral palsy (CP) by performing a meta-analysis. We searched the PubMed, Embase, Cochrane and Chinese WanFang databases from January 1985 to June 2022 to yield studies that met our predefined criteria. Standard mean differences (SMDs) of Cu/Zn/Iron/Ca/Mg levels between CP cases and healthy controls were calculated using the fixed-effects model or the random-effects model, in the presence of heterogeneity. 95% confidence intervals (CI) were also computed. Sensitivity analysis was performed by omitting each study in turn. A total of 19 studies were involved in our investigation. CP cases showed markedly lower Cu, Zn, iron and Ca levels than those in controls among overall populations (SMD = − 2.156, 95% CI − 3.013 to − 1.299, P < 10−4; SMD = − 2.223, 95% CI − 2.966 to − 1.480, P < 10−4; SMD = − 1.092, 95% CI − 1.513 to − 0.672, P < 10−4; SMD = − 0.757, 95% CI − 1.475 to − 0.040, P = 0.038) and Asians (SMD = − 2.893, 95% CI − 3.977 to − 1.809, P < 10−4; SMD = − 2.559, 95% CI − 3.436 to − 1.683, P < 10−4; SMD = − 1.336, 95% CI − 1.807 to − 0.865, P < 10−4; SMD = − 1.000, 95% CI − 1.950 to − 0.051, P = 0.039). CP cases showed markedly lower Zn level than that in controls among Caucasians (SMD = − 0.462, 95% CI − 0.650 to − 0.274, P < 10−4). No significant differences of Cu, iron and Ca levels between CP cases and controls among Caucasians (SMD = − 0.188, 95% CI − 0.412 to 0.037, P = 0.101; SMD = − 0.004, 95% CI − 0.190 to 0.182, P = 0.968; SMD = 0.070, 95% CI − 0.116 to 0.257, P = 0.459) were observed. No marked difference of Mg level between CP cases and controls was noted among overall populations (SMD = − 0.139, 95% CI − 0.504 to 0.226, P = 0.455), Asians (SMD = − 0.131, 95% CI − 0.663 to 0.401, P = 0.629), and Caucasians (SMD = − 0.074, 95% CI − 0.361 to 0.213, P = 0.614). Sensitivity analysis did not change the overall results significantly for Cu, Zn, iron and Mg. CP cases demonstrated significantly lower levels of Cu/Zn/iron/Ca than those in healthy controls, particularly in Asians. Decreasing trend of Cu/Zn/iron/Ca levels merit attention, particularly in the population with high susceptibility to CP. Frequent monitoring and early intervention may be needed.

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Mechanistic insights of Cucumis melo L. seeds for gastrointestinal muscle spasms through calcium signaling pathway–related gene regulation networks in WGCNA and in vitro, in vivo studies

Cited by 4 publications

References 42 publications

Molecular insights into the anti‐inflammatory activity of fermented pineapple juice using multimodal computational studies

Molecular insights into the anti‐inflammatory activity of fermented pineapple juice using multimodal computational studies

Ethnopharmacological basis and pharmacodynamics prospectives for folkloric claims of Rosa webbiana wall. Ex. Royle in diarrhea and asthma via In vitro, In vivo and In silico techniques

Association between Cu/Zn/Iron/Ca/Mg levels and cerebral palsy: a pooled-analysis

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