Rapid Screening of Antioxidant Active Constituents from Puerariae Lobatae Radix Based on the Investigation of Quantitative Patteren-Activity Relationship

Zhao, Chenxi; Yuan, Dian; Chan, Hoi-Yan; Chau, Foo‐Tim; Liu, Linqi; Tan, Xiangyu; Wang, Xiaomei; Liang, Yi‐Zeng

doi:10.2174/1573411011666150415002035

Cited by 3 publications

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“…Bioassay-guided fractionation is the conventional phytochemical approach to screen active components from herbal medicine, but it is time-consuming and laborious [ 8 , 9 , 10 , 11 ]. Moreover, more than one compound or component contributes to the activity of herbal medicines, and synergistic actions always exist among different constituents [ 12 , 13 ]. Rapid, effective and economical approaches should be developed for screening active components from herbal medicines.…”

Section: Introductionmentioning

confidence: 99%

“…The quantitative pattern–activity relationship (QPAR) approach has been proposed in recent years, which quantitatively correlates the chromatographic fingerprint and related bioactivity capacities of the samples by partial least-squares (PLS) [ 12 , 14 , 15 ], artificial neural network (ANN) [ 16 ] and other regression methods, where the quantitative pattern is the quantitative or semi-quantitative result by HPLC–UV, HPLC–MS, NMR spectroscopy and so on. Compared with conventional bioactive-component screening approaches, QPAR has great advantages due to being fast, efficient and allowing component-group screening.…”

Section: Introductionmentioning

confidence: 99%

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Rapid Screening of Active Components with an Osteoclastic Inhibitory Effect in Herba epimedii Using Quantitative Pattern–Activity Relationships Based on Joint-Action Models

et al. 2017

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Screening of bioactive components is important for modernization and quality control of herbal medicines, while the traditional bioassay-guided phytochemical approach is time-consuming and laborious. The presented study proposes a strategy for rapid screening of active components from herbal medicines. As a case study, the quantitative pattern–activity relationship (QPAR) between compounds and the osteoclastic inhibitory effect of Herba epimedii, a widely used herbal medicine in China, were investigated based on joint models. For model construction, standard mixtures data showed that the joint-action models are better than the partial least-squares (PLS) model. Then, the Good2bad value, which could reflect components’ importance based on Monte Carlo sampling, was coupled with the joint-action models for screening of active components. A compound (baohuoside I) and a component composed of compounds with retention times in the 6.9–7.9 min range were selected by our method. Their inhibition rates were higher than icariin, the key bioactive compound in Herba epimedii, which could inhibit osteoclast differentiation and bone resorption in a previous study. Meanwhile, the half-maximal effective concentration, namely, EC50 value of the selected component was 7.54 μg/mL, much smaller than that of baohuoside I—77 μg/mL—which indicated that there is synergistic action between compounds in the selected component. The results clearly show our proposed method is simple and effective in screening the most-bioactive components and compounds, as well as drug-lead components, from herbal medicines.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Rapid Screening of Active Components with an Osteoclastic Inhibitory Effect in Herba epimedii Using Quantitative Pattern–Activity Relationships Based on Joint-Action Models

et al. 2017

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Chemometric‐based drug discovery approaches from natural origins using hyphenated chromatographic techniques

Mahboubifar,

Zidorn,

Farag

et al. 2024

Phytochemical Analysis

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IntroductionIsolation and characterization of bioactive components from complex matrices of marine or terrestrial biological origins are the most challenging issues for natural product chemists. Biochemometric is a new potential scope in natural product analytical science, and it is a methodology to find the compound's correlation to their bioactivity with the help of hyphenated chromatographic techniques and chemometric tools.ObjectivesThe present review aims to evaluate the application of chemometric tools coupled to chromatographic techniques for drug discovery from natural resources.MethodsThe searching keywords “biochemometric,” “chemometric,” “chromatography,” “natural products bioassay,” and “bioassay” were selected to search the published articles between 2010‐2023 using different search engines including “Pubmed”, “Web of Science,” “ScienceDirect,” and “Google scholar.”ResultsAn initial stage in natural product analysis is applying the chromatographic hyphenated techniques in conjunction with biochemometric approaches. Among the applied chromatographic techniques, liquid chromatography (LC) techniques, have taken up more than half (53%) and also, mass spectroscopy (MS)‐based chromatographic techniques such as LC–MS are the most widely used techniques applied in combination with chemometric methods for natural products bioassay. Considering the complexity of dataset achieved from chromatographic hyphenated techniques, chemometric tools have been increasingly employed for phytochemical studies in the context of determining botanicals geographical origin, quality control, and detection of bioactive compounds.ConclusionBiochemometric application is expected to be further improved with advancing in data acquisition methods, new efficient preprocessing, model validation and variable selection methods which would guarantee that the applied model to have good prediction ability in compound relation to its bioactivity.

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Comprehensive phytochemical analysis and sedative-hypnotic activity of twoAcanthopanaxspecies leaves

Liu

Wang

et al. 2021

Food Funct.

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Rapid Screening of Antioxidant Active Constituents from Puerariae Lobatae Radix Based on the Investigation of Quantitative Patteren-Activity Relationship

Cited by 3 publications

References 0 publications

Rapid Screening of Active Components with an Osteoclastic Inhibitory Effect in Herba epimedii Using Quantitative Pattern–Activity Relationships Based on Joint-Action Models

Rapid Screening of Active Components with an Osteoclastic Inhibitory Effect in Herba epimedii Using Quantitative Pattern–Activity Relationships Based on Joint-Action Models

Chemometric‐based drug discovery approaches from natural origins using hyphenated chromatographic techniques

Comprehensive phytochemical analysis and sedative-hypnotic activity of twoAcanthopanaxspecies leaves

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