Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors - In Vitro, In Silico and QSAR Studies
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10450958" target="_blank" >RIV/00216208:11310/20:10450958 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=QnHSpud7Uo" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=QnHSpud7Uo</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/molecules25173989" target="_blank" >10.3390/molecules25173989</a>
Alternative languages
Result language
angličtina
Original language name
Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors - In Vitro, In Silico and QSAR Studies
Original language description
A series of nineteen amino acid analogues of amantadine (Amt) and rimantadine (Rim) were synthesized and their antiviral activity was evaluated against influenza virus A (H3N2). Among these analogues, the conjugation of rimantadine with glycine illustrated high antiviral activity combined with low cytotoxicity. Moreover, this compound presented a profoundly high stability after in vitro incubation in human plasma for 24 h. Its thermal stability was established using differential and gravimetric thermal analysis. The crystal structure of glycyl-rimantadine revealed that it crystallizes in the orthorhombicPbcaspace group. The structure-activity relationship for this class of compounds was established, with CoMFA (Comparative Molecular Field Analysis) 3D-Quantitative Structure Activity Relationships (3D-QSAR) studies predicting the activities of synthetic molecules. In addition, molecular docking studies were conducted, revealing the structural requirements for the activity of the synthetic molecules.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecules
ISSN
1420-3049
e-ISSN
1420-3049
Volume of the periodical
25
Issue of the periodical within the volume
17
Country of publishing house
CH - SWITZERLAND
Number of pages
21
Pages from-to
3989
UT code for WoS article
000571140900001
EID of the result in the Scopus database
2-s2.0-85090319999