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TCRT Reprints

Supplementary Video Files for: Investigating potential anti-obesity drug from TCM Database at Taiwan

Posted below are a few Videos of the MD Simulation of the interaction between FTO and potential anti-obesity drugs

Calvin Yu-Chain Chen

Laboratory of Computational and Systems Biology
School of Chinese Medicine
China Medical University
Taichung, 40402, Taiwan.

ycc@mail.cmu.edu.tw


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Video S1. Simulation video of interactions between FTO and 3-methylthymidine. Binding conformations at time 3ns to 6ns and at time 15ns to 18ns were compared.

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Video S2. Simulation video of interactions between FTO and (S)-Tryptophan-Betaxanthin at time 5ns to 8ns. The stabilizing H-bonds associated with Asn205 were focused.

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Video S3. Simulation video of interactions between FTO and 3-Methoxytyramine-Betaxanthin at the first 2ns. H-bonds associated with the rotation on the ligand’s tetrahydropyridine structure were observed.

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Video S4. Simulation video of interactions between FTO and gallic acid. Ligand was maintained by both H-bonds and pi interactions.