Influence of stereoisomer of dispiro-1,2,4,5-tetraoxanes on their binding mode with heme and on antimalarial activity: Molecular docking studies

Based on the fact that different isomers may exhibit substantial distinct activities, quantum chemical calculations and automated molecular docking simulations were carried out for 13 dispiro-1,2,4,5-tetraoxane compounds, which experimentally exist as a mixture of several isomers, to elucidate the m...

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Bibliographic Details
Main Authors: Somsak Tonmunphean, Atchara Wijitkosoom, Yuthana Tantirungrotechai
Other Authors: Chulalongkorn University
Format: Article
Published: 2018
Subjects:
Online Access:https://repository.li.mahidol.ac.th/handle/123456789/21193
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Institution: Mahidol University