Title of article
QSAR study of chalcone derivatives as anti-Leishmania agents
Author/Authors
IMAN, Maryam baqiyatallah university of medical sciences - Chemical Injuries Research Center, ايران , DAVOOD, Asghar islamic azad university - Department of Medicinal Chemistry, ايران , BANAROUEI, Nasimossadat baqiyatallah university of medical sciences - Chemical Injuries Research Center, ايران
From page
716
To page
724
Abstract
Quantitative structure activity relationship analyses were used to identify the ideal physicochemical characteristics of potential chalcone derivatives as anti-Leishmania agents. The HyperChem program was used to build chalcone structures and to perform conformational analyses through the semiempirical method followed by the PM3 force field. Dragon calculated a large number of molecular descriptors. Multilinear regression was used for quantitative structure activity relationship modeling. Based on our computational studies, 4 descriptors, SEigv, RDF125v, RDF055u, and O-058, can affect the activity of chalcone derivatives.
Keywords
Amastigote , chalcones , leishmaniasis , QSAR , promastigote
Journal title
Turkish Journal of Chemistry
Journal title
Turkish Journal of Chemistry
Record number
2533386
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