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

Lead compound and application thereof in preparation of drugs against castration-resistant prostate cancer

A lead compound, castration-resistant technology, applied in the directions of heterocyclic compound active ingredients, anti-tumor drugs, drug combinations, etc., can solve the problems of gene mutation and ineffective alternative splicing products of AR

Inactive Publication Date: 2016-09-21
LANZHOU UNIVERSITY
View PDF1 Cites 0 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

The current idea of ​​drug development for CRPC is to further reduce the concentration of androgen or design a more potent anti-androgen, but these methods are ineffective against gene mutations and alternative splicing products of AR.

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
  • Lead compound and application thereof in preparation of drugs against castration-resistant prostate cancer
  • Lead compound and application thereof in preparation of drugs against castration-resistant prostate cancer
  • Lead compound and application thereof in preparation of drugs against castration-resistant prostate cancer

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0038] Chemical structures of lead compounds:

[0039]

[0040]

[0041] 1. A high-throughput virtual screening method for lead compounds having a chemical structure of formula (I)

[0042] The Schrödinger program package was used to download the crystal structures of the FK1 domains of FKBP51 and FKBP52 from the protein structure database PDB (PDB code: 305R and 1N4A), and the structures were optimized, charged and For the hydrogen atom, select its FK506 binding pocket, and use the molecular docking program Glide to conduct high-throughput virtual screening from more than 1.5 million compounds provided by Chemdiv. The screening is performed on a 4-core CPU server, and about 10 compounds can be screened per day. Ten thousand compounds, use QikProp to calculate the physical and chemical properties of the screened small molecule lead compounds, such as lipid-water partition coefficient QPlogPo / w, etc., and screen out the top 150 small molecules with the best docking-score ...

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

PropertyMeasurementUnit
molecular weightaaaaaaaaaa
Login to View More

Abstract

Belonging to the technical field of biochemical pharmacy, the invention provides a lead compound and application thereof in preparation of drugs against castration-resistant prostate cancer (CRPC). The invention performs high-throughput virtual screening on FKBP51 and FKBP52 protein, and verifies the effectiveness of the obtained compounds on molecule, cellule and individual animal levels, explores the molecular mechanism by which a finally selected lead compound with development prospect acts on CRPC, and provides a new and more effective way for treatment of CRPC.

Description

technical field [0001] The invention belongs to the technical field of biochemical pharmacy, and in particular relates to a lead compound with anti-prostate cancer activity and its use in preparing anti-castration-resistant prostate cancer drugs. Background technique [0002] Prostate cancer is the second leading cause of male cancer death in developed countries such as Europe and the United States, and the incidence and mortality of prostate cancer in China are also rising. Androgen receptor (AR) is considered to play a key role in the occurrence, development and metastasis of prostate cancer. Therefore, androgen deprivation therapy (androgen deprivation therapy) has become the most common and effective method for the treatment of advanced prostate cancer. But within two to three years of treatment, most advanced prostate cancers develop castration-resistant prostate cancer (CRPC). The current lack of effective treatment for CRPC has become the most difficult problem in t...

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): C07D473/08A61K31/522A61P35/00C12Q1/68A61P13/08G01N21/64
CPCA61K31/522C07D473/08C12Q1/6883C12Q2600/136C12Q2600/158G01N21/6428G01N2021/6432
Inventor 王志平何永兴武丹
Owner LANZHOU UNIVERSITY
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