Looking for breakthrough ideas for innovation challenges? Try Patsnap Eureka!

Molecular protection and prescription design method for protein drug activity

A protein drug and prescription design technology, applied in the biological field, can solve the problems of expensive demand, narrow screening area, cumbersome steps, etc., and achieve the effects of fast research and development, high screening efficiency, high degree of programming and automation

Pending Publication Date: 2021-03-09
HAIMEN ZHIYI MEDICINE TECH CO LTD +2
View PDF12 Cites 0 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

This screening method requires expensive equipment, long cycle, cumbersome steps, high technical requirements, low efficiency, and narrow screening area.

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
  • Molecular protection and prescription design method for protein drug activity
  • Molecular protection and prescription design method for protein drug activity
  • Molecular protection and prescription design method for protein drug activity

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0039] Embodiment 1. In the present invention, a comprehensive database of active protective agents is provided, including the specific molecular structure, precise charge distribution data, intramolecular mechanical parameters and physicochemical properties of active protective agents.

[0040] Among them, the detailed molecular structure of the active protective agent is based on the crystal structure of the corresponding active protective agent in the Cambridge Crystal Structure Database to construct the specific molecular structure of the active protective agent, including a clear three-dimensional molecular structure and its connection relationship, accurate cis-trans isomerism and optical isomerism characteristics; the solvation structure of the active protective agent was calculated at the calculation level of B3LYP / cc-pVTZ SCRF=(IEFPCM,Solvent=water) through the Gaussian quantum chemical calculation software package.

[0041] Among them, the accurate charge distribution...

Embodiment 2

[0044] Embodiment 2. In the present invention, a selective adsorption screening and determination method of an active protective agent on the surface of a protein drug is provided, comprising the following steps:

[0045] S1: Construct the selective adsorption protective layer of the active protective agent on the surface of the protein drug: partition the active protective agent on the surface of the protein drug according to the molecular size of the active protective agent, and put the active protective agent on the surface of the protein drug molecule through the Monte Carlo method without being protected by the active protective agent In the occupied area, find the potential adsorption site with the largest contact coefficient and the strongest interaction in this area through the rotation and translation of the active protective agent, and determine and record the adsorption conformation and adsorption site. When all the surface partitions of the protein drug are tried to...

Embodiment 3

[0058] Example 3, in the present invention, a method for designing a molecular protection prescription for protein drug activity includes the following steps:

[0059] S1: Solvation Correction:

[0060] ① Effect of solvation on the interaction of host and guest

[0061] In aqueous solution, due to the effect of solvation, the molecular protection types of active protective agents on specific protein drugs are divided into three types, including direct protection, indirect protection and double protection, such as figure 1 shown.

[0062] Effect type 1 is direct protective effect: the effect of the protective agent on the protein drug is large, and the effect on the water solvent is small, and the protective agent is more likely to be adsorbed on the protein. This type of action is similar to that of anhydrous solvents, but the presence of aqueous solvents weakens the effects of protective agents and protein drugs. In solution, direct protection is strong.

[0063] Action t...

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 relates to the technical field of biology, in particular to a molecular protection and prescription design method for protein drug activity, which is characterized in that an inventor optimizes a calculation method by taking calculation structure biology as a basis and applying a high-performance calculation technology from the construction of a molecular structure-property-functional database of drugs, auxiliary materials and solvents; aiming at different protein drug freeze-drying systems, a freeze-drying protection mechanism of an active protective agent on protein drug biological activity is accurately analyzed from a molecular level, and a logic relationship is established between quantitative indexes and a computer simulation result, so that the conversion of a freeze-drying process from an empirical mode to a theoretical guidance mode is achieved; a freeze-drying protective agent and freeze-drying composite prescription screening and designing system is developed,the problems that protein drugs are unstable in activity, uneven in quality and the like in the freeze-drying process are solved, personalized freeze-drying and production for different protein drugsare truly achieved, and effective guarantee is provided for the freeze-drying process and freeze-drying quality of biological agents.

Description

technical field [0001] The invention relates to the field of biotechnology, in particular to the molecular protection of protein drug activity and its prescription design method. Background technique [0002] The key to the development of protein drug preparations is to solve the stability problem of such drugs. Regardless of whether it is injection administration or non-injection administration, it is necessary to use appropriate excipients and design a reasonable prescription and process. Currently clinically used protein drug injections include solution injections and freeze-dried powder injections. The solution type is easy to use, but it needs to be stored at low temperature (2-8°C). Freeze-dried powder is relatively stable, but the process is more complicated, and it will also be inactivated during the freeze-thaw process. Changing the properties of protein drug solvents by adding various excipients is a commonly used stabilization method in pharmaceutical preparati...

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): G16C20/50G16C20/90
CPCG16C20/50G16C20/90
Inventor 魏冬青李代禧王恒王艳菁
Owner HAIMEN ZHIYI MEDICINE TECH CO LTD
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Patsnap Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Patsnap Eureka Blog
Learn More
PatSnap group products

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

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com