| Computer design and syntheses of antiulcer compounds. 2nd Communication: N-substituted N'-[3-[3-(1-piperidinomethyl)phenoxy]propyl]ureas. | |
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MedLine Citation:
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PMID: 9006789 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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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. |
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Authors:
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V Kamenska; Z Nedyalkova; T Invanov; O Mekenyan |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't |
Journal Detail:
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Title: Arzneimittel-Forschung Volume: 46 ISSN: 0004-4172 ISO Abbreviation: Arzneimittelforschung Publication Date: 1996 Dec |
Date Detail:
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Created Date: 1997-03-17 Completed Date: 1997-03-17 Revised Date: 2008-11-21 |
Medline Journal Info:
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Nlm Unique ID: 0372660 Medline TA: Arzneimittelforschung Country: GERMANY |
Other Details:
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Languages: eng Pagination: 1144-8 Citation Subset: IM |
Affiliation:
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Bourgas University of Technology, Bulgaria. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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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 Stereoisomerism Structure-Activity Relationship Urea / analogs & derivatives, chemical synthesis, chemistry* |
| Chemical | |
Reg. No./Substance:
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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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