Complementary Quantitative Structure–Activity Relationship Models for the Antitrypanosomal Activity of Sesquiterpene Lactones

Complementary Quantitative Structure–Activity Relationship Models for the Antitrypanosomal Activity of Sesquiterpene Lactones

Three complementary quantitative structure⁻activity relationship (QSAR) methodologies, namely, regression modeling based on (i) “classical„ molecular descriptors, (ii) 3D pharmacophore features, and (iii) 2D molecular holograms (HQSAR) were employed on the antitrypanoso...

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Bibliographic Details
Main Authors: Njogu M. Kimani, Josphat C. Matasyoh, Marcel Kaiser, Mauro S. Nogueira, Gustavo H. G. Trossini, Thomas J. Schmidt
Format: Article
Language:English
Published: MDPI AG 2018-11-01
Series:International Journal of Molecular Sciences
Subjects:
QSAR
sesquiterpene lactones
<i>Trypanosoma brucei</i>
human African trypanosomiasis
pharmacophore-based drug design
Online Access:https://www.mdpi.com/1422-0067/19/12/3721

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https://www.mdpi.com/1422-0067/19/12/3721

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