Pharmacokinetic–pharmacodynamic modeling for Moutan Cortex/Moutan Cortex charcoal and the contributions of the chemical component using support vector regression with particle swarm optimization

Pan, Sixing; Zhou, Jinyan; Zhou, Sujuan; Huang, Zhangpeng; Meng, Jianxin

doi:10.1039/d0ra04111d

Cited by 4 publications

(3 citation statements)

References 31 publications

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“…These two compounds demonstrated rich plasma exposure in BHH rats after processing, so it can be inferred that processing may promote the absorption of the blood coagulant component (5‐HMF and gallic acid) and inhibit absorption of the blood circulation components (oxypaeoniflora, quercetin and 3, 8‐dihydroxy‐2‐ methylchromone), which clarifies the effect of processing on the action of drugs in the body. In addition, The pharmacokinetic–pharmacodynamic experiments of RMC/PMC also suggest that benzoic acid and quercetin may be the main pharmacological substances for RMC to promote blood circulation in RMC, and gallic acid and 5‐HMF may be the main effective substances for hemostasis in PMC (Pan, Zhou, Zhou, Huang, & Meng, 2020), which verified the pharmacokinetic results. Moreover, 1 H NMR‐based metabonomic revealed the protective effect of PMC on BHH rats.…”

Section: Resultssupporting

confidence: 56%

Nine absorbed components pharmacokinetic of raw and processed Moutan Cortex in normal and blood‐heat and hemorrhage syndrome model rats

Cheng

Yan

et al. 2020

Biomedical Chromatography

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Raw Moutan Cortex (RMC) and Processed Moutan Cortex (PMC) have a long history of use in China and other Asian countries. In this study, a rapid and accurate ultra‐high‐pressure liquid chromatography coupled with diode array detector (UHPLC–DAD) method was developed and validated for the simultaneous determination of nine absorbed compounds of RMC/PMC. After extraction by protein precipitation with methanol from plasma, the analytes were separated on an Acquity UPLC® BEH Shield RP18 column (2.1 × 100 mm, 1.7 μm, Waters, USA). Acetonitrile (A) and 0.1% (v/v) formic acid in water (B) were selected as the mobile phase to perform gradient elution. The linearity of nine analytes was >0.9915. The intra‐ and inter‐assay precision (RSD) values were within 11.18%, and accuracy ranged from 91.32 to 101.29%. Suitable stability, matrix effect and extraction recoveries were also obtained. The validated method was applied to compare the pharmacokinetics of RMC and PMC in Blood‐Heat and Hemorrhage Syndrome Model and normal rats. The results revealed that processing and the pathological state could influence the pharmacokinetic characteristics of compounds in RMC/PMC. The study willbe useful for further studies on pharmacokinetics and clinical application of raw and processed Moutan Cortex.

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Section: Resultssupporting

confidence: 56%

Nine absorbed components pharmacokinetic of raw and processed Moutan Cortex in normal and blood‐heat and hemorrhage syndrome model rats

Cheng

Yan

et al. 2020

Biomedical Chromatography

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“…We inferred that the reason why PLSR attained both the positive–negative correlation and contribution rate, but PCA only acquired the latter may be associated with that difference. Due to the complexity of model and the small sample size, the application of BPNN may result in over-fitting [ 34 ]. The adoption of cross-validation in PLSR effectively avoided the over-fitting, meanwhile, PLSR may exhibit better applicability to the research with a modest amount of sample [ 35 , 36 ].…”

Section: Discussionmentioning

confidence: 99%

An auxiliary strategy of partial least squares regression in pharmacokinetic/pharmacodynamic studies: A case of application of guhong injection in myocardial ischemia/reperfusion rats

Chen,

Li,

Shao

et al. 2024

Journal of Food and Drug Analysis

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Guhong injection (GHI) has been applied in the therapy of cardio-cerebrovascular disease in clinic, but there is no report about the pharmacokinetic/pharmacodynamic (PK/PD) research on GHI treating myocardial ischemia/reperfusion (MI/R) injury in rats. In this study, eight compounds of GHI in plasma, including N-acetyl-L-glutamine (NAG), chlorogenic acid (CGA), hydroxysafflor yellow A (HSYA), p -coumaric acid ( p CA), rutin, hyperoside, kaempferol-3-O-rutinoside, and kaempferol-3-O-glucoside, were quantified by LC-MS/MS. We discovered that the values of t 1/2β , k 12 , V 2 , and CL 2 were larger than those of t 1/2α , k 21 , V 1 , and CL 1 for all compounds. The levels of four biomarkers, creatine kinase-MB (CK-MB), cardiac troponin I (cTn I), ischemia-modified albumin (IMA), and alpha-hydroxybutyrate dehydrogenase (α-HBDH) in plasma were determined by ELISA. The elevated level of these biomarkers induced by MI/R was declined to different degrees via administrating GHI and verapamil hydrochloride (positive control). The weighted regression coefficients of NAG, HSYA, CGA, and p CA in PLSR equations generated from The Unscrambler X software (version 11) were mostly minus, suggesting these four ingredients were positively correlated to the diminution of the level of four biomarkers. E max and ED 50 , two parameters in PK/PD equations that were obtained by adopting Drug and Statistics software (version 3.2.6), were almost enlarged with the rise of GHI dosage. Obviously, all analytes were dominantly distributed and eliminated in the peripheral compartment with features of rapid distribution and slow elimination. With the enhancement of GHI dosage, the ingredients only filled in the central compartment if the peripheral compartment was replete. Meanwhile, high-dose of GHI generated the optimum intrinsic activity, but the affinity of compounds with receptors was the worst, which may be caused by the saturation of receptors. Among the eight analytes, NAG, HSYA, CGA, and p CA exhibited superior cardioprotection, which probably served as the pharmacodynamic substance basis of GHI in treating MI/R injury.

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“…46 To do this, they used a bootstrap method upon point estimates obtained by a derivative‐based nonlinear least squares (NLS) approach or GA. Their comparison showed that the parameter estimates obtained by GA are quite unbiased compared to those obtained by NLS. Recently, Pan et al 47 developed a support vector regression model with PSO (PSO‐SVR) to simultaneously characterize the PKs and PDs of Moutan Cortex and Moutan Cortex charcoal widely used in traditional Chinese medicine. In PSO‐SVR, PSO was used to find parameters that fit the chemical component to the drug efficacy by optimizing the support vector regression model.…”

Section: Parameter Estimation Via Psomentioning

confidence: 99%

Metaheuristics for pharmacometrics

Kim

Hooker

Shi

et al. 2021

CPT Pharmacom & Syst Pharma

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Metaheuristics is a powerful optimization tool that is increasingly used across disciplines to tackle general purpose optimization problems. Nature‐inspired metaheuristic algorithms is a subclass of metaheuristic algorithms and have been shown to be particularly flexible and useful in solving complicated optimization problems in computer science and engineering. A common practice with metaheuristics is to hybridize it with another suitably chosen algorithm for enhanced performance. This paper reviews metaheuristic algorithms and demonstrates some of its utility in tackling pharmacometric problems. Specifically, we provide three applications using one of its most celebrated members, particle swarm optimization (PSO), and show that PSO can effectively estimate parameters in complicated nonlinear mixed‐effects models and to gain insights into statistical identifiability issues in a complex compartment model. In the third application, we demonstrate how to hybridize PSO with sparse grid, which is an often‐used technique to evaluate high dimensional integrals, to search for D‐efficient designs for estimating parameters in nonlinear mixed‐effects models with a count outcome. We also show the proposed hybrid algorithm outperforms its competitors when sparse grid is replaced by its competitor, adaptive gaussian quadrature to approximate the integral, or when PSO is replaced by three notable nature‐inspired metaheuristic algorithms.

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Pharmacokinetic–pharmacodynamic modeling for Moutan Cortex/Moutan Cortex charcoal and the contributions of the chemical component using support vector regression with particle swarm optimization

Abstract: Moutan Cortex (MC) and Moutan Cortex charcoal (MCC) are two kinds of Chinese medicinal materials and effective substances are still unclear. A PK-PD model for MC/MCC is proposed using the support vector regression with particle swarm optimization.

Cited by 4 publications

References 31 publications

Nine absorbed components pharmacokinetic of raw and processed Moutan Cortex in normal and blood‐heat and hemorrhage syndrome model rats

Nine absorbed components pharmacokinetic of raw and processed Moutan Cortex in normal and blood‐heat and hemorrhage syndrome model rats

An auxiliary strategy of partial least squares regression in pharmacokinetic/pharmacodynamic studies: A case of application of guhong injection in myocardial ischemia/reperfusion rats

Metaheuristics for pharmacometrics

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