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CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean

Chuanyu Lyu, Tong Chen, Bo Qiang, Ningfeng Liu, Heyu Wang, Liangren Zhang, Zhenming Liu
2020 Nucleic Acids Research  
To meet the growing demand for mining and sharing for MNPs-related data resources, we developed CMNPD, a comprehensive marine natural products database based on manually curated data.  ...  We are committed to providing a free data sharing platform for not only professional MNPs researchers but also the broader scientific community to facilitate drug discovery from the ocean.  ...  John Faulkner (1942Faulkner ( -2002, who made fundamental contributions to the study of marine natural products chemistry and chemical ecology.  ... 
doi:10.1093/nar/gkaa763 pmid:32986829 fatcat:5iahlyyzgbbo5ove6kdeyootly

Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, ADMET, and Molecular Dynamics (MD) Simulation of Potential Inhibitors of PD-L1 from the Library of Marine Natural Products

Lianxiang Luo, Ai Zhong, Qu Wang, Tongyu Zheng
2021 Marine Drugs  
Method: 52,765 marine natural products were screened against PD-L1(PDBID: 6R3K).  ...  To identify natural compounds, a structure-based pharmacophore model was generated, following by virtual screening and molecular docking.  ...  CMNPD: A comprehensive marine natural products database towards facilitating drug discovery from the ocean. Nucleic Acids Res. 2020, 49, D509–D515. [CrossRef] 28.  ... 
doi:10.3390/md20010029 fatcat:tu2fmhabqrddrdb4klp2km4owm