… model with LIGANDSCOUT for the discovery of new scaffolds acting as HIV-1 non-nucleoside
reverse transcriptase inhibitors by virtual screening of large chemical databases. Six …

… from natural products. This review focuses on the strategy of virtual screening based on …
To fulfill this requirement, we developed the Chinese Natural Product Database (CNPD) in …

… the main databases of natural products available for … It also describes the main features of
virtual screening strategies for … database, using the search term "Virtual screening of natural …

… Conclusion: We highlight the applications of these databases in many fields of virtual
screening, and attempt to forecast the importance of the natural product database in next-…

… a virtual screening pipeline for identifying potent natural products and natural product-… in
a commercial database by integrating QSAR-based virtual screening and further experimental …

… natural products databases emerged for use in computational chemistry. Many virtual libraries
of natural products … Here, a number of virtual natural products collections are presented for …

… incorporate the virtual screening (VS) of large compound databases against validated drug
targets followed by the careful selection of virtual hit compounds to be screened by biological …

… Molecular docking enables the extraordinary structural diversity of natural products to be …
virtual screening for the identification of bioactive molecules from natural product databases…

… Pharmacophore based virtual screening of the selected natural product databases followed
by Glide molecular docking and dynamics studies against SARS-CoV-2 main protease was …

… optimize drug candidates inspired by nature. Focusing on 3D … virtual screening and modeling
methods, review available in silico databases as sources for chemical structures of natural …