Document Detail

Computer design and syntheses of antiulcer compounds. 2nd Communication: N-substituted N'-[3-[3-(1-piperidinomethyl)phenoxy]propyl]ureas.
MedLine Citation:
PMID:  9006789     Owner:  NLM     Status:  MEDLINE    
The in vitro and in vivo antiulcer effect of a series of N-substituted N'3-[3-(1-piperidinomethyl)phenoxy]propyl]ureas was modeled by making use of the OASIS computer system for QSAR analysis. Various research schemes were employed depending on structural representation of chemicals under investigation, such as non-protonated (neutral), protonated at the piperidine and urea fragmental nitrogens, and with intramolecular hydrogen binding. According to the modeling results, it is likely a variety of structural forms of antagonist molecules to take part in the receptor interaction. The QSAR study showed that the larger the electron acceptor properties of the nitrogen and oxygen atoms of the urea fragment, the higher is in vitro and in vivo activity of the antagonists.
V Kamenska; Z Nedyalkova; T Invanov; O Mekenyan
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Arzneimittel-Forschung     Volume:  46     ISSN:  0004-4172     ISO Abbreviation:  Arzneimittelforschung     Publication Date:  1996 Dec 
Date Detail:
Created Date:  1997-03-17     Completed Date:  1997-03-17     Revised Date:  2008-11-21    
Medline Journal Info:
Nlm Unique ID:  0372660     Medline TA:  Arzneimittelforschung     Country:  GERMANY    
Other Details:
Languages:  eng     Pagination:  1144-8     Citation Subset:  IM    
Bourgas University of Technology, Bulgaria.
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MeSH Terms
Anti-Ulcer Agents / chemical synthesis,  chemistry*
Chemistry, Physical
Computer-Aided Design
Drug Design*
Gastric Mucosa / drug effects,  secretion
Histamine H2 Antagonists / chemical synthesis,  chemistry
Molecular Conformation
Physicochemical Phenomena
Quantum Theory
Structure-Activity Relationship
Urea / analogs & derivatives,  chemical synthesis,  chemistry*
Reg. No./Substance:
0/Anti-Ulcer Agents; 0/Histamine H2 Antagonists; 57-13-6/Urea

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

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