Cyanobacterial metabolites: computer-aided prediction of biological activity spectra of neosaxitoxin, gonyautoxin II and aeruginoside 126A
Abstract
We identified new and confirmed the previously known types of biological activity for some of the most common cyanobacterial metabolites (microcystins, anabaenopeptinov, saxitoxin) by computer simulation. Within the design based on the target structure (structure-based drug design) was studied docking interaction (3D-QSAR) involving cyano-metabolites molecules. Based on the results of the study the most promising candidates were selected for further study - neosaksitoksin (neosaxitoxin), goniatoksin II (gonyautoxin GTX2) and aeruginozid 126A (aeruginoside 126A), for which the observed properties of the manifestation of cytostatic, anti-tumor antibiotics and anticoagulants.
About the Authors
Ya. V. Russkikh
ФГБУН «Санкт-Петербургский научно-исследовательский центр экологической безопасности РАН», Санкт-Петербург
Russian Federation
Russian Federation
E. N. Chernova
ФГБУН «Санкт-Петербургский научно-исследовательский центр экологической безопасности РАН», Санкт-Петербург
Russian Federation
Russian Federation
E. I. Afonina
ФГБУН «Санкт-Петербургский научно-исследовательский центр экологической безопасности РАН», Санкт-Петербург
Russian Federation
Russian Federation
Z. A. Zhakovskaya
ФГБУН «Санкт-Петербургский научно-исследовательский центр экологической безопасности РАН», Санкт-Петербург
Russian Federation
Russian Federation
E. V. Fedorova
ООО «ВВС Лаб», Санкт-Петербург
Russian Federation
Russian Federation
V. A. Ostrovskiy
Санкт-Петербургский государственный технологический институт (технический университет), Санкт-Петербург
Russian Federation
Russian Federation
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Review
For citations:
Russkikh Ya.V., Chernova E.N., Afonina E.I., Zhakovskaya Z.A., Fedorova E.V., Ostrovskiy V.A. Cyanobacterial metabolites: computer-aided prediction of biological activity spectra of neosaxitoxin, gonyautoxin II and aeruginoside 126A. Journal Biomed. 2016;(4):54-64. (In Russ.)
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