ArticlePloS one2013
Use of natural products as chemical library for drug discovery and network pharmacology.
Article in PloS one, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 153 papers.
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Who cites it
153 citing papers in PubMed.
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- DiaNat-DB-v2: A Molecular Database of Antidiabetic Compounds from Medicinal Plants and Functional Foods.ACS omega · 2025Article
- Targeting cyclin-dependent kinase 11: a computational approach for natural anti-cancer compound discovery.Molecular diversity · 2025Article
- Update and ADMET Profile of the Latin American Natural Product Database: LANaPDB.Molecular informatics · 2025Article
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- Biological potential and therapeutic effectiveness with diverse signaling pathways of phyto-product chicoric acid: a comprehensive review with computational evidence.Naunyn-Schmiedeberg's archives of pharmacology · 2025Review
- Medicago sativa Extracts Enhance the Anticancer Efficacy of GEM in PANC-1 Cells through Apoptosis Induction and BAX/BCL-2/CASP3 Expression Modulation.Asian Pacific journal of cancer prevention : APJCP · 2025Article
- Molecular Dynamics Simulation Studies of Beta-Glucogallin and Dihydro Dehydro Coniferyl Alcohol from Syzygium cumini for its Antimicrobial Activity on Staphylococcus aureus.Cell biochemistry and biophysics · 2025Article
- Overview and limitations of database in global traditional medicines: A narrative review.Acta pharmacologica Sinica · 2025Review
- Coverage bias in small molecule machine learning.Nature communications · 2025Article
- Pharmacological and Therapeutic Potential of a Natural Flavonoid Icariside II in Human Complication.Current drug targets · 2025Review
- Leveraging molecular graphs for natural product classification.Computational and structural biotechnology journal · 2025Article
- Screening of Natural Compounds as Inhibitor of MCurrent pharmaceutical design · 2025Article
- Umbelliferone as an effective component of Rhodiola for protecting the cerebral microvascular endothelial barrier in cSVD.Frontiers in pharmacology · 2025Article
- Natural product databases for drug discovery: Features and applications.Pharmaceutical science advances · 2024Review
- Latin American Natural Product Database (LANaPDB): An Update.Journal of chemical information and modeling · 2024Article
- Advances, opportunities, and challenges in methods for interrogating the structure activity relationships of natural products.Natural product reports · 2024Review
- Article
- Chemoinformatic Characterization of NAPROC-13: A Database for Natural ProductJournal of natural products · 2024Article
93 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundNatural products have been an important source of lead compounds for drug discovery. How to find and evaluate bioactive natural products is critical to the achievement of drug/lead discovery from natural products. METHODOLOGY: We collected 19,7201 natural products structures, reported biological activities and virtual screening results. Principal component analysis was employed to explore the chemical space, and we found that there was a large portion of overlap between natural products and FDA-approved drugs in the chemical space, which indicated that natural products had large quantity of potential lead compounds. We also explored the network properties of natural product-target networks and found that polypharmacology was greatly enriched to those compounds with large degree and high betweenness centrality. In order to make up for a lack of experimental data, high throughput virtual screening was employed. All natural products were docked to 332 target proteins of FDA-approved drugs. The most potential natural products for drug discovery and their indications were predicted based on a docking score-weighted prediction model.
conclusionsAnalysis of molecular descriptors, distribution in chemical space and biological activities of natural products was conducted in this article. Natural products have vast chemical diversity, good drug-like properties and can interact with multiple cellular target proteins.
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