A multi-omics study of the anti-cancer effect of a ferulic acid derivative FA-30

Wang, Dongyao; Guo, Dandan; Tang, Yuxiao; Qi, Minyu; Fang, Jiahao; Zhang, Ying; Chai, Yifeng; Cao, Yan; Lv, Diya

doi:10.1039/d2mo00025c

Cited by 3 publications

(1 citation statement)

References 29 publications

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“…Thus, it is not surprising that many efforts have been devoted to the development of FA derivatives [ 21 , 27 , 29 , 90 , 91 , 92 , 93 , 94 , 95 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 , 112 , 113 , 114 , 115 , 116 , 117 , 118 , 119 , 120 , 121 , 122 , 123 , 124 , 125 , 126 , 127 , 128 , 129 , 130 , 131 , 132 , 133 , 134 , 135 ]. Some of their relevant structural modifications and properties are summarized in Table 1 .…”

Section: Introductionmentioning

confidence: 99%

Rational Design of Multifunctional Ferulic Acid Derivatives Aimed for Alzheimer’s and Parkinson’s Diseases

et al. 2023

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Ferulic acid has numerous beneficial effects on human health, which are frequently attributed to its antioxidant behavior. In this report, many of them are reviewed, and 185 new ferulic acid derivatives are computationally designed using the CADMA-Chem protocol. Consequently, their chemical space was sampled and evaluated. To that purpose, selection and elimination scores were used, which are built from a set of descriptors accounting for ADME properties, toxicity, and synthetic accessibility. After the first screening, 12 derivatives were selected and further investigated. Their potential role as antioxidants was predicted from reactivity indexes directly related to the formal hydrogen atom transfer and the single electron transfer mechanisms. The best performing molecules were identified by comparisons with the parent molecule and two references: Trolox and α-tocopherol. Their potential as polygenic neuroprotectors was investigated through the interactions with enzymes directly related to the etiologies of Parkinson’s and Alzheimer’s diseases. These enzymes are acetylcholinesterase, catechol-O-methyltransferase, and monoamine oxidase B. Based on the obtained results, the most promising candidates (FA-26, FA-118, and FA-138) are proposed as multifunctional antioxidants with potential neuroprotective effects. The findings derived from this investigation are encouraging and might promote further investigations on these molecules.

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Section: Introductionmentioning

confidence: 99%

Rational Design of Multifunctional Ferulic Acid Derivatives Aimed for Alzheimer’s and Parkinson’s Diseases

et al. 2023

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A metabolomics approach reveals metabolic disturbance of human cholangiocarcinoma cells after parthenolide treatment

He,

Yu,

et al. 2024

Journal of Ethnopharmacology

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Determination of the ground and excited state dipole moments of ferulic and sinapic acids by solvatochromic effects and density function theory method

Sherefedin,

Belay,

Kebede

et al. 2023

AIP Advances

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Ferulic acid (FA) and sinapic acid (SA) are groups of phenolic acids that belong to the class of hydroxycinnamic acid. Due to their molecular structure and functional groups, these compounds exhibit a wide range of biological activities. In this research, we have determined the dipole moments of these compounds in gas and solvent phases using spectroscopic and computational methods. The change in the dipole moments of FA and SA was calculated by Bakhshiev’s, Kawski–Chamma–Viallet’s, Lippert–Mataga’s, and microscopic solvent polarity functions. The results show that the change in the dipole moment calculated using Lippert–Mataga’s method is higher than that using other methods. This is due to the fact that this method ignores the specific interactions of the solute and solvent as well as the polarizability of the solute molecule. Similarly, the ground and excited-state dipole moments were determined by theoretical quantum chemical calculations using density functional theory (DFT); the results are found to be similar to the experimental ones. In both approaches, the excited dipole moment is greater than the ground state, indicating a significant redistribution of electron densities and being more sensitive to the solvent in the excited state for both molecules. The HOMO-LUMO energy bandgaps calculated in the gas phase for FA and SA are 4.001 and 4.055 eV, respectively. In addition, electron charge density maps, UV–Vis absorption spectra, and oscillator strengths were calculated using the DFT method to obtain general information about the compounds.

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A multi-omics study of the anti-cancer effect of a ferulic acid derivative FA-30

Abstract: The active ingredients of Traditional Chinese Medicine are an important source of bioactive molecules and play an important role in the research and development of innovative drugs. FA-30, which is...

Cited by 3 publications

References 29 publications

Rational Design of Multifunctional Ferulic Acid Derivatives Aimed for Alzheimer’s and Parkinson’s Diseases

Rational Design of Multifunctional Ferulic Acid Derivatives Aimed for Alzheimer’s and Parkinson’s Diseases

A metabolomics approach reveals metabolic disturbance of human cholangiocarcinoma cells after parthenolide treatment

Determination of the ground and excited state dipole moments of ferulic and sinapic acids by solvatochromic effects and density function theory method

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