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Method and system for analyzing pharmaceutical ingredients

A component analysis and drug technology, applied in the field of digital medicine, can solve the problem of poor drug component analysis accuracy, and achieve the effect of accurate drug molecular structure

Active Publication Date: 2022-05-10
武汉宏韧生物医药股份有限公司
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0003] The main purpose of the present invention is to provide a drug component analysis method and system, aiming to solve the problem of poor accuracy of drug component analysis in existing drug component analysis methods

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  • Method and system for analyzing pharmaceutical ingredients
  • Method and system for analyzing pharmaceutical ingredients

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Embodiment Construction

[0068] The following will clearly and completely describe the technical solutions in the embodiments of the present invention with reference to the accompanying drawings in the embodiments of the present invention. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of them. Based on the embodiments of the present invention, all other embodiments obtained by persons of ordinary skill in the art without creative efforts fall within the protection scope of the present invention.

[0069] It should be noted that all directional indications (such as up, down, left, right, front, rear, etc.) If the positional relationship, movement conditions, etc. change, the directional indication will also change accordingly, and the connection may be a direct connection or an indirect connection.

[0070] The term "and / or" in this article is just an association relationship describing associated objects, which means that there can be three rel...

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Abstract

The present invention provides a drug component analysis method and system, wherein the method includes: obtaining a target protein, a target drug to be detected, and an organ profile with the target protein, and processing the organ profile to obtain the target Based on the prediction map of the spatial structure of the drug, the molecular structure of the targeted drug can be predicted based on the functional groups of the targeted drug. Beneficial effects of the present invention: by obtaining the targeted protein, targeted drug and corresponding organ contour map, the spatial structure of the target protein in the organ contour map is obtained, and then the chromatogram based on the spatial structure of the target protein and the targeted drug is realized. The graph predicts the molecular structure of targeted drugs, realizes the prediction and analysis of the spatial structure of drug components, and makes the molecular structure of drugs more accurate.

Description

technical field [0001] The invention relates to the field of digital medical care, in particular to a method and system for analyzing drug components. Background technique [0002] Drug discovery is the process of identifying new candidate compounds with potential therapeutic effects, and the prediction of drug-target interactions (DTI) between drug molecules and target proteins is an essential step in the drug discovery process. However, the efficacy of drug molecules depends on their affinity for the target protein or receptor. A drug molecule without any interaction or affinity for the target protein will not be able to provide a therapeutic response. For some drug components that are determined to have curative effects, the analysis method is mainly through simple chromatograms and hydrogen spectra. However, this analysis method is difficult to analyze the spatial structure of drug components, which makes it impossible to analyze the drug components precise identificat...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B15/30G16B40/00G16C20/20G16C20/50G16C20/70G06T7/13G06T7/62G06T7/64G06T5/00G01N33/15G01N30/86
CPCG16B15/30G16B40/00G16C20/20G16C20/50G16C20/70G06T7/13G06T7/62G06T7/64G06T5/002G01N33/15G01N30/8696G06T2207/10056G06T2207/20081
Inventor 张杨陈桂英庄炜平姜宏梁
Owner 武汉宏韧生物医药股份有限公司
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