{"doi":"10.1371/journal.pone.0062839","title":"Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology","abstract":null,"journal":"PLoS ONE","year":2013,"id":641495,"datarank":0.9063949250523573,"base_score":6.042632833682381,"endowment":6.042632833682381,"self_citation_contribution":0.9063949250523573,"citation_network_contribution":0.0,"self_endowment_contribution":0.9063949250523573,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":420,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1667976,"name":"Yuanshen Gui","orcid":null,"position":1,"is_corresponding":false},{"id":1192463,"name":"Lirong Chen","orcid":"0000-0003-0087-2100","position":2,"is_corresponding":false},{"id":1667979,"name":"Gu Yuan","orcid":null,"position":3,"is_corresponding":false},{"id":1667981,"name":"Hui-Zhe Lu","orcid":null,"position":4,"is_corresponding":false},{"id":665422,"name":"Xiaojie Xu","orcid":null,"position":5,"is_corresponding":false},{"id":1667974,"name":"Jiangyong Gu","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology","abstract":"BACKGROUND: Natural 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. CONCLUSIONS: Analysis 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.","is_dataset_classified":null,"base_score":6.042632833682381,"endowment":6.042632833682381,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"23638153","pmcid":"PMC3636197","openalex_id":"https://openalex.org/W2006607885","authors":[],"funders":[],"total_grants":0,"fwci":22.7976,"citation_percentile":0.9963701,"influential_citations":0,"citation_trend":[{"year":2013,"count":4},{"year":2014,"count":17},{"year":2015,"count":21},{"year":2016,"count":22},{"year":2017,"count":32},{"year":2018,"count":41},{"year":2019,"count":43},{"year":2020,"count":51},{"year":2021,"count":46},{"year":2022,"count":33},{"year":2023,"count":35},{"year":2024,"count":44},{"year":2025,"count":25},{"year":2026,"count":6}],"oa_status":"gold","license":"cc-by","oa_locations":[{"url":"https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0062839&type=printable","host_type":"journal"},{"url":"https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0062839&type=printable","host_type":"publisher"},{"url":"http://dx.plos.org/10.1371/journal.pone.0062839","host_type":"publisher"},{"url":"https://doi.org/10.1371/journal.pone.0062839","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/23638153","host_type":"repository"},{"url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.810.125","host_type":""},{"url":"https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0062839","host_type":"repository"},{"url":"https://doaj.org/article/b9c3293fdad14871b4cbdac8630946af","host_type":"repository"},{"url":"http://europepmc.org/articles/PMC3636197","host_type":"repository"},{"url":"https://figshare.com/articles/_Use_of_Natural_Products_as_Chemical_Library_for_Drug_Discovery_and_Network_Pharmacology_/691659","host_type":"repository"},{"url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3636197","host_type":"repository"},{"url":"https://europepmc.org/articles/PMC3636197","host_type":"Europe_PMC"},{"url":"https://europepmc.org/articles/PMC3636197?pdf=render","host_type":"Europe_PMC"}],"fields_of_study":["Computational Drug Discovery Methods","Bioinformatics and Genomic Networks","Cell Image Analysis Techniques"],"mesh_terms":["Biological Products","Disease","Pharmacology","United States","United States Food and Drug Administration","Drug Approval","Computational Biology","Drug Discovery","Databases, Pharmaceutical"],"keywords":["Chemical space","Drug discovery","Natural product","Virtual screening","Drug","Computational biology","Biochemical engineering","Betweenness centrality","Cheminformatics","Computer science","Chemistry","Pharmacology","Centrality","Biology","Bioinformatics","Stereochemistry","Mathematics"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-07T18:25:42.764233Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}