Prediction model of area under the curve (AUC) based on physicochemical property for quinolones antibacterial

A technology of fluoroquinolones and predictive models, which is applied in the direction of electrical digital data processing, special data processing applications, instruments, etc., can solve the problems of inaccurate drug-time curve prediction and cumbersome prediction methods, achieve good prediction results, avoid costs and Waste of time, the effect of realizing profits

Inactive Publication Date: 2012-09-12
TIANJIN UNIV
View PDF2 Cites 3 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0003] In order to solve the problems existing in the prior art, the present invention provides a drug-time curve prediction model based on physical and chemical properties of fluoroquinolone antibacterial drugs, which solves the inaccurate prediction of the time curve of fluoroquinolone antibacterial drugs in the prior art, and the prediction method is cumbersome The problem

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • Prediction model of area under the curve (AUC) based on physicochemical property for quinolones antibacterial
  • Prediction model of area under the curve (AUC) based on physicochemical property for quinolones antibacterial
  • Prediction model of area under the curve (AUC) based on physicochemical property for quinolones antibacterial

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0033] The specific implementation manners of the present invention will be described in detail below in conjunction with the accompanying drawings.

[0034] 1. Scatter matrix analysis. Construct dependent variable AUC and 8 independent variables molecular molar mass MW, molecular molar volume MV, polar surface area FPSA, water solubility logS, lipid-water partition coefficient logP, and lipid-water distribution coefficient at pH7.0 by Scatter plot in SPSS software logD7.0, acid dissociation pKa of the 3-position carboxyl group 1 And the basic degree of dissociation pKa of the 7-position substituent 2 The scatter matrix plot of (see attached figure 1 ), AUC and pKa can be preliminarily seen from the scatter matrix 2 There is an outlier at the top of the scatterplot. After analysis, it was rufloxacin with the largest AUC value. Further investigation found that FPSA and the pKa after excluding rufloxacin 2 Both AUC and AUC have obvious curve models.

[0035] 2. Curve fitt...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to view more

PUM

No PUM Login to view more

Abstract

The invention aims at constructing a model which can quickly predict I-period area under the curve (AUC) of drugs in human body through physicochemical properties of quinolones compounds and has good predicting capability. Construction is carried out primarily by using a method of stepwise multiple linear regression combined with curve fitting. In the final AUC model, significant independent variables comprises mole volumes MV of these compounds, alkaline degree of dissociation of 7- substituent group on nuclear parent (pka2) and quadratic of the pka2 ((pka2) <2> ). According to the prediction model provided by the invention, the predicting capability of the constructed model reaches over 80%, so the constructed model has excellent predicting effect. Through early predictions of the AUC of quinolones new drugs, the drugs without pharmacokinetic property can be reduced for clinical test, thereby decreasing time and money wastes, and accelerating research and development of such drugs.

Description

technical field [0001] The invention relates to a method for predicting human pharmacokinetic parameters, more specifically, constructing a model for quickly predicting the drug-time curve (AUC) in the human body through the pharmacological and chemical properties of quinolone antibacterials. Background technique [0002] Structural modification of fluoroquinolones to obtain new fluoroquinolones with stronger activity, wider antibacterial spectrum, and less toxicity has always been one of the important topics in the field of antibacterial drug research, but is limited by the high development costs and comparatively high development costs of such drugs. The long development cycle is limited; and many fluoroquinolone lead substances with good antibacterial activity in vitro have been eliminated due to poor pharmacokinetic parameters or too many adverse reactions. AUC is an important index to characterize the degree of absorption of such drugs in the body, and is a pharmacokine...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to view more

Application Information

Patent Timeline
no application Login to view more
Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00
Inventor 孙鹤陈红燕
Owner TIANJIN UNIV
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Try Eureka
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap