Journal Article10.1016/J.COMPBIOMED.2011.12.009
Prediction of the mode of interaction between monoterpenes and the nitroreductase from Enterobacter cloacae by docking simulation
Sako Mirzaie,Fatemeh Rafii,Katsuaki Yasunaga,Kunie Yoshunaga,Zargham Sepehrizadeh,Shinji Kanno,Yu Tonegawa,Ahmad Reza Shahverdi +7 more
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TL;DR: Computer-aided molecular modeling and docking techniques have been employed to simulate the theoretical mode of interaction between monoterpenes and Enterobacter cloacae nitroreductase, finding that enhancement of nitro drug potency in the presence of monoterspenes may be the result of modulation of nit mirroreductase activity.
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About: This article is published in Computers in Biology and Medicine. The article was published on 01 Apr 2012. The article focuses on the topics: Nitroreductase & Enterobacter cloacae.
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Structure-based virtual screening, molecular docking and dynamics studies of natural product and classical inhibitors against human dihydrofolate reductase
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