Virtual screening for the discovery of bioactive natural products

JM Rollinger, H Stuppner, T Langer - Natural compounds as drugs …, 2008 - Springer
… Because of the restricted free access to NP 3D libraries (see below), the number of virtual
screening studies published for the rational access to bioactive NPs is limited. Some examples …

Virtual screening on natural products for discovering active compounds and target information

J Shen, X Xu, F Cheng, H Liu, X Luo… - Current medicinal …, 2003 - ingentaconnect.com
… from natural products. This review focuses on the strategy of virtual screening based on …
is when researchers use computational methods to evaluate virtual libraries (databases), as …

Development of a virtual screening method for identification of “frequent hitters” in compound libraries

O Roche, P Schneider, J Zuegge, W Guba… - Journal of medicinal …, 2002 - ACS Publications
… For this purpose we explored a wide range of molecular descriptors and various prediction
techniques. Finally, we employed our new virtual screening tool to identify potential frequent …

[HTML][HTML] Modeling the expansion of virtual screening libraries

J Lyu, JJ Irwin, BK Shoichet - Nature chemical biology, 2023 - nature.com
… expect these new ultra-large libraries, and the hits … natural products and drugs observed in
the ‘in-stock’ libraries. Since we know the identity of every molecule screened in these libraries

SARS‐CoV protease inhibitors design using virtual screening method from natural products libraries

B Liu, J Zhou - Journal of computational chemistry, 2005 - Wiley Online Library
… Two natural products databases, the marine natural products database (MNPD) and the …
‐CoV protease inhibitors through virtual screening. Before the procedure, the databases were …

Virtual screening of virtual libraries

DVS Green - Progress in medicinal chemistry, 2003 - Elsevier
… of high throughput screeningvirtual screening. Virtual screening involves the evaluation
of … Both of these are examples of a virtual screen – a model sufficiently validated, robust and …

Virtual screening in drug discovery

AR Patel, HB Patel, SK Mody, RD Singh… - Journal of Veterinary …, 2021 - indianjournals.com
… to develop products with commercial value … Virtual screening (VS) strategies have innovated
the discovery of novel bioactive molecules by in silico method from large compound libraries

A primer on natural product-based virtual screening

E Koulouridi, M Valli, F Ntie-Kang… - Physical Sciences …, 2019 - degruyter.com
… in various computational techniques, including virtual screening (VS) … natural products
databases emerged for use in computational chemistry. Many virtual libraries of natural products

[HTML][HTML] Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products

K Santana, LD Do Nascimento, A Lima e Lima… - Frontiers in …, 2021 - frontiersin.org
… in the Virtual Screening of Bioactive Compounds Virtual screening methods have innovated
… , assessing in silico large structural libraries against a bioreceptor or biological system, thus …

[HTML][HTML] QSAR-based virtual screening of natural products database for identification of potent antimalarial hits

LT Ferreira, JVB Borba, JT Moreira-Filho, A Rimoldi… - Biomolecules, 2021 - mdpi.com
natural products libraries link virtual screening campaigns to the benefits of natural product-…
of the present study was to develop a virtual screening pipeline for identifying potent natural