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