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Mendeley | Further Information

{"title"=>"Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology", "type"=>"journal", "authors"=>[{"first_name"=>"Jiangyong", "last_name"=>"Gu", "scopus_author_id"=>"35264237300"}, {"first_name"=>"Yuanshen", "last_name"=>"Gui", "scopus_author_id"=>"55661635400"}, {"first_name"=>"Lirong", "last_name"=>"Chen", "scopus_author_id"=>"55739258000"}, {"first_name"=>"Gu", "last_name"=>"Yuan", "scopus_author_id"=>"7201553421"}, {"first_name"=>"Hui Zhe", "last_name"=>"Lu", "scopus_author_id"=>"57199201178"}, {"first_name"=>"Xiaojie", "last_name"=>"Xu", "scopus_author_id"=>"7405294059"}], "year"=>2013, "source"=>"PLoS ONE", "identifiers"=>{"pmid"=>"23638153", "doi"=>"10.1371/journal.pone.0062839", "sgr"=>"84876736739", "isbn"=>"1932-6203 (Electronic)\\r1932-6203 (Linking)", "scopus"=>"2-s2.0-84876736739", "issn"=>"19326203", "pui"=>"368798888"}, "id"=>"5a875626-3809-379a-af7d-271fc7f53124", "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.\\n\\nMETHODOLOGY: 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.\\n\\nCONCLUSIONS: 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.", "link"=>"http://www.mendeley.com/research/natural-products-chemical-library-drug-discovery-network-pharmacology", "reader_count"=>199, "reader_count_by_academic_status"=>{"Unspecified"=>4, "Professor > Associate Professor"=>6, "Librarian"=>1, "Researcher"=>34, "Student > Doctoral Student"=>10, "Student > Ph. D. Student"=>47, "Student > Postgraduate"=>10, "Student > Master"=>43, "Other"=>5, "Student > Bachelor"=>25, "Lecturer"=>4, "Lecturer > Senior Lecturer"=>1, "Professor"=>9}, "reader_count_by_user_role"=>{"Unspecified"=>4, "Professor > Associate Professor"=>6, "Librarian"=>1, "Researcher"=>34, "Student > Doctoral Student"=>10, "Student > Ph. D. Student"=>47, "Student > Postgraduate"=>10, "Student > Master"=>43, "Other"=>5, "Student > Bachelor"=>25, "Lecturer"=>4, "Lecturer > Senior Lecturer"=>1, "Professor"=>9}, "reader_count_by_subject_area"=>{"Unspecified"=>9, "Agricultural and Biological Sciences"=>55, "Arts and Humanities"=>2, "Business, Management and Accounting"=>1, "Veterinary Science and Veterinary Medicine"=>1, "Chemical Engineering"=>2, "Chemistry"=>59, "Computer Science"=>11, "Engineering"=>1, "Biochemistry, Genetics and Molecular Biology"=>26, "Medicine and Dentistry"=>14, "Pharmacology, Toxicology and Pharmaceutical Science"=>17, "Social Sciences"=>1}, "reader_count_by_subdiscipline"=>{"Medicine and Dentistry"=>{"Medicine and Dentistry"=>14}, "Social Sciences"=>{"Social Sciences"=>1}, "Unspecified"=>{"Unspecified"=>9}, "Pharmacology, Toxicology and Pharmaceutical Science"=>{"Pharmacology, Toxicology and Pharmaceutical Science"=>17}, "Chemical Engineering"=>{"Chemical Engineering"=>2}, "Arts and Humanities"=>{"Arts and Humanities"=>2}, "Engineering"=>{"Engineering"=>1}, "Chemistry"=>{"Chemistry"=>59}, "Agricultural and Biological Sciences"=>{"Agricultural and Biological Sciences"=>55}, "Computer Science"=>{"Computer Science"=>11}, "Business, Management and Accounting"=>{"Business, Management and Accounting"=>1}, "Biochemistry, Genetics and Molecular Biology"=>{"Biochemistry, Genetics and Molecular Biology"=>26}, "Veterinary Science and Veterinary Medicine"=>{"Veterinary Science and Veterinary Medicine"=>1}}, "reader_count_by_country"=>{"Colombia"=>1, "Argentina"=>1, "Romania"=>1, "United States"=>2, "Switzerland"=>1, "Costa Rica"=>1, "India"=>2, "Saudi Arabia"=>1, "Austria"=>1, "China"=>1, "Namibia"=>1, "Brazil"=>3, "Mexico"=>1, "South Africa"=>1, "France"=>1, "Germany"=>3, "Indonesia"=>2}, "group_count"=>8}

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• {"id"=>"331841028342546433", "text"=>"Use of #natural #health products as a chemical library for drug 3discovery http://t.co/YMGEPWIhB8 Lots of pros/cons to the #innovation #NHP", "created_at"=>"2013-05-07T18:40:41Z", "user"=>"myCCNMResearch", "user_name"=>"CCNM Research", "user_profile_image"=>"http://a0.twimg.com/profile_images/1430978225/Giff_normal.gif"}
• {"id"=>"331841495277662208", "text"=>"Use of #natural #health products as a chemical library for drug #discovery http://t.co/YMGEPWIhB8 Lots of pros/cons to #innovation #NHP", "created_at"=>"2013-05-07T18:42:32Z", "user"=>"myCCNMResearch", "user_name"=>"CCNM Research", "user_profile_image"=>"http://a0.twimg.com/profile_images/1430978225/Giff_normal.gif"}
• {"id"=>"393950148193419264", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/oTWpeCsqGr\"", "created_at"=>"2013-10-26T04:00:09Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}
• {"id"=>"451569814662696960", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/l2TZM9Dbjp\"", "created_at"=>"2014-04-03T04:00:08Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}
• {"id"=>"458621311468982272", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/KFrKBfDXzJ\"", "created_at"=>"2014-04-22T15:00:16Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}
• {"id"=>"495766025087238144", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/zWerWqYlEU\"", "created_at"=>"2014-08-03T03:00:05Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}
• {"id"=>"519638327880732675", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/wlP2rg5IHH\"", "created_at"=>"2014-10-08T00:00:06Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}
• {"id"=>"546545701719924736", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/zWerWrwZOY\"", "created_at"=>"2014-12-21T06:00:24Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}
• {"id"=>"554265429804212224", "text"=>"RT @thebaybot: Natural products have been an important source of lead compounds for drug discovery http://t.co/zWerWrwZOY\"", "created_at"=>"2015-01-11T13:15:50Z", "user"=>"Dhanarajtweet", "user_name"=>"Dhanaraj", "user_profile_image"=>"http://pbs.twimg.com/profile_images/492243678593691648/ROsG4bEO_normal.jpeg"}
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• {"id"=>"632280574393196545", "text"=>"Natural products have been an important source of lead compounds for drug discovery http://t.co/zWerWqGcqM\" #chemical_biology", "created_at"=>"2015-08-14T20:00:10Z", "user"=>"thebaybot", "user_name"=>"baybot", "user_profile_image"=>"http://pbs.twimg.com/profile_images/378800000263061007/bb2880bd6baf8e5298f42b156c5adebe_normal.jpeg"}

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Figshare

• {"files"=>["https://ndownloader.figshare.com/files/1036067"], "description"=>"<p>Prediction model of indications for natural products.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "indications"], "article_id"=>691648, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.g006", "stats"=>{"downloads"=>1, "page_views"=>0, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Prediction_model_of_indications_for_natural_products_/691648", "title"=>"Prediction model of indications for natural products.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-04-25 00:27:28"}
• {"files"=>["https://ndownloader.figshare.com/files/1036061"], "description"=>"<p>Representations of the symbols are the same to <a href=\"http://www.plosone.org/article/info:doi/10.1371/journal.pone.0062839#pone-0062839-g003\" target=\"_blank\">Figure 3</a>.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "computational"], "article_id"=>691642, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.g005", "stats"=>{"downloads"=>2, "page_views"=>6, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Drug_target_network_of_natural_products_and_their_computational_targets_/691642", "title"=>"Drug-target network of natural products and their computational targets.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-04-25 00:27:22"}
• {"files"=>["https://ndownloader.figshare.com/files/1036074"], "description"=>"<p>Statistics of satisfied conditions for “rule of five” of natural products in UNPD and approved small drugs in DrugBank.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "satisfied", "unpd", "approved", "drugs"], "article_id"=>691655, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.t003", "stats"=>{"downloads"=>3, "page_views"=>11, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Statistics_of_satisfied_conditions_for_8220_rule_of_five_8221_of_natural_products_in_UNPD_and_approved_small_drugs_in_DrugBank_/691655", "title"=>"Statistics of satisfied conditions for “rule of five” of natural products in UNPD and approved small drugs in DrugBank.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-04-25 00:27:35"}
• {"files"=>["https://ndownloader.figshare.com/files/1036073"], "description"=>"<p>Note: the descriptors of 197201 natural products in UNPD and 1380 FDA-approved small molecule drugs in DrugBank were calculated by Discovery Studio.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "molecular", "descriptors", "unpd", "fda-approved", "drugs"], "article_id"=>691654, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.t002", "stats"=>{"downloads"=>2, "page_views"=>16, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Statistics_of_molecular_descriptors_of_natural_products_in_UNPD_and_FDA_approved_drugs_in_DrugBank_/691654", "title"=>"Statistics of molecular descriptors of natural products in UNPD and FDA-approved drugs in DrugBank.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-04-25 00:27:34"}
• {"files"=>["https://ndownloader.figshare.com/files/1036070"], "description"=>"<p>Most potential natural products for lead discovery.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development"], "article_id"=>691651, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.t005", "stats"=>{"downloads"=>1, "page_views"=>10, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Most_potential_natural_products_for_lead_discovery_/691651", "title"=>"Most potential natural products for lead discovery.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-04-25 00:27:31"}
• {"files"=>["https://ndownloader.figshare.com/files/1036055"], "description"=>"<p>The green triangles and black dots represent natural products and FDA-approved drugs, respectively.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "unpd", "fda-approved"], "article_id"=>691636, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.g002", "stats"=>{"downloads"=>7, "page_views"=>255, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_The_distribution_in_chemical_space_according_to_principal_component_analysis_of_natural_products_in_UNPD_and_FDA_approved_drugs_/691636", "title"=>"The distribution in chemical space according to principal component analysis of natural products in UNPD and FDA-approved drugs.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-04-25 00:27:16"}
• {"files"=>["https://ndownloader.figshare.com/files/1036078", "https://ndownloader.figshare.com/files/1036079", "https://ndownloader.figshare.com/files/1036080", "https://ndownloader.figshare.com/files/1036082"], "description"=>"<div><p>Background</p><p>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.</p><p>Methodology</p><p>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.</p><p>Conclusions</p><p>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.</p></div>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development"], "article_id"=>691659, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>["https://dx.doi.org/10.1371/journal.pone.0062839.s001", "https://dx.doi.org/10.1371/journal.pone.0062839.s002", "https://dx.doi.org/10.1371/journal.pone.0062839.s003", "https://dx.doi.org/10.1371/journal.pone.0062839.s004"], "stats"=>{"downloads"=>39, "page_views"=>5, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Use_of_Natural_Products_as_Chemical_Library_for_Drug_Discovery_and_Network_Pharmacology_/691659", "title"=>"Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology", "pos_in_sequence"=>0, "defined_type"=>4, "published_date"=>"2013-04-25 00:27:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1036059"], "description"=>"<p>Distribution of docking score of natural products.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "docking"], "article_id"=>691640, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.g004", "stats"=>{"downloads"=>2, "page_views"=>3, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Distribution_of_docking_score_of_natural_products_/691640", "title"=>"Distribution of docking score of natural products.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-04-25 00:27:20"}
• {"files"=>["https://ndownloader.figshare.com/files/1036072"], "description"=>"<p>The number of compounds and number of duplicate structures in each databases.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "compounds", "duplicate", "structures"], "article_id"=>691653, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.t001", "stats"=>{"downloads"=>1, "page_views"=>3, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_The_number_of_compounds_and_number_of_duplicate_structures_in_each_databases_/691653", "title"=>"The number of compounds and number of duplicate structures in each databases.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-04-25 00:27:33"}
• {"files"=>["https://ndownloader.figshare.com/files/1036057"], "description"=>"<p>The size of each node is proportional to its degree. The nodes are colored according to their shortest-path betweenness in the network. Circles and triangles correspond to small compounds (natural products or drugs) and target proteins, respectively.</p>", "links"=>[], "tags"=>["Biochemistry", "chemical biology", "drug discovery", "biotechnology", "Analytical chemistry", "Chemical analysis", "Applied chemistry", "Chemical properties", "Chemical engineering", "computational chemistry", "Molecular mechanics", "medicinal chemistry", "Drugs and devices", "Drug research and development", "targets"], "article_id"=>691638, "categories"=>["Medicine", "Chemistry", "Biological Sciences"], "users"=>["Jiangyong Gu", "Yuanshen Gui", "Lirong Chen", "Gu Yuan", "Hui-Zhe Lu", "Xiaojie Xu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0062839.g003", "stats"=>{"downloads"=>2, "page_views"=>4, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Drug_target_network_of_natural_products_and_their_experimental_targets_DTNe_/691638", "title"=>"Drug-target network of natural products and their experimental targets (DTNe).", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-04-25 00:27:18"}
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Relative Metric

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F1000Prime