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Published January 17, 2023 | Version v1

In silico molecular docking and molecular dynamic simulation of agarwood compounds with molecular targets of Alzheimer's disease

  • 1. Department of Clinical Chemistry, Faculty of Allied Health Sciences, Chulalongkorn University and Natural Products for Neuroprotection and Anti-Ageing Research Unit, Chulalongkorn University, Bangkok 10330, Thailand
  • 2. Department of Microbiology, Shivaji University, Kolhapur, Maharashtra-416004, India
  • 3. ICMR-National Institute of traditional Medicine, Belagavi, Karnataka-590010, India
  • 4. Phytomedicine and Ageing laboratory, Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry, India
  • 5. Department of Computer Science, School of Engineering and Technology, Pondicherry University (A Central University), Karaikal Campus, Karaikal 609605, India

Description

We have uploaded data files such as agarwood compounds (PDB files) and protein structures files (PDB files). Also, we are uploading supplementary files such as a supplemental figure 1 and Supplementary Material ADMET properties of agarwood compounds

Files

Agarwood Compounds_PDB formats.zip

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