Intermolecular Interactions of Nucleoside Antibiotic Tunicamycin with On-Target MraYCB-TUN and Off-Target DPAGT1-TUN in the Active Sites Delineated by Quantum Mechanics/Molecular Mechanics Calculations

Author:

Astani Elahe K.12,Malek Zadeh Saeid345,Hsu Ning-Shian3,Lin Kuan-Hung3,Sardari Soroush1,Li Tsung-Lin3467ORCID

Affiliation:

1. Drug Design and Bioinformatics Unit, Medical Biotechnology Department, Biotechnology Research Center, Pasteur Institute of Iran, Tehran 13169-43551, Iran

2. Department of Chemistry, Faculty of Science, Tarbiat Modares University, Tehran 14115-175, Iran

3. Genomics Research Center, Academia Sinica, Taipei 11529, Taiwan

4. Chemical Biology and Molecular Biophysics Program, Taiwan International Graduate Program, Academia Sinica, Taipei 11529, Taiwan

5. Institute of Bioinformatics and Structural Biology, National Tsing Hua University, Hsinchu 30013, Taiwan

6. Molecular and Biological Agricultural Sciences Program, Taiwan International Graduate Program, Academia Sinica, Taipei 11529, Taiwan

7. Graduate Institute of Biotechnology, National Chung Hsing University, Taichung 40227, Taiwan

Funder

Academia Sinica

Ministry of Science and Technology, Taiwan

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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