2015
DOI: 10.1038/srep09325
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Clustered Distribution of Natural Product Leads of Drugs in the Chemical Space as Influenced by the Privileged Target-Sites

Abstract: Some natural product leads of drugs (NPLDs) have been found to congregate in the chemical space. The extent, detailed patterns, and mechanisms of this congregation phenomenon have not been fully investigated and their usefulness for NPLD discovery needs to be more extensively tested. In this work, we generated and evaluated the distribution patterns of 442 NPLDs of 749 pre-2013 approved and 263 clinical trial small molecule drugs in the chemical space represented by the molecular scaffold and fingerprint trees… Show more

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Cited by 22 publications
(19 citation statements)
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“…Following the assumption that plant-derived chemicals are constrained to evolutionary plant lineages 4 5 6 , phylogeny-guided approaches have been seen as one of the time-efficient and informed approaches to plant-based drug discovery 7 8 9 10 11 12 13 14 . Some of these approaches utilise information from ethnomedicine: the use of plants by humans as medicines 15 .…”
mentioning
confidence: 99%
“…Following the assumption that plant-derived chemicals are constrained to evolutionary plant lineages 4 5 6 , phylogeny-guided approaches have been seen as one of the time-efficient and informed approaches to plant-based drug discovery 7 8 9 10 11 12 13 14 . Some of these approaches utilise information from ethnomedicine: the use of plants by humans as medicines 15 .…”
mentioning
confidence: 99%
“…Although very few natural product‐derived drugs originating from marine organisms are currently approved, mining the marine environment will pave the way for biological and chemical novelties . The ocean provides extreme growth conditions for organisms, such as high pressure, high salinity, low (or high) temperature, limited sunlight, low nutrient concentration, and low oxygen content .…”
Section: Novel Organisms and Manipulation Of Natural Metabolismmentioning
confidence: 99%
“…Although very few natural product-derived drugs originating from marine organisms are currently approved, mining the marine environment will pave the way for biological and chemical novelties. 46,47,106 The ocean provides extreme growth conditions for organisms, such as high pressure, high salinity, low (or high) temperature, limited sunlight, low nutrient concentration, and low oxygen content. 107 Under these physically variable and competitive environments, many branches of life are complex and exclusively marine, 46 and certain marine ecosystems possess much higher chemical diversity than what is described terrestrially, making them a unique and rich resource of diverse compounds.…”
Section: Marine Organismsmentioning
confidence: 99%
“…More than 20,000 new natural marine products have been isolated over the past 50 years of which 71% have not been found on land 203 . These substances are abundant, covering almost all pharmaceutical fields 204 . The basic structure of bioactive substances discovered from marine organisms is primarily peptides (or proteins), but polysaccharides (including glucoside), lipids and small molecules have also been found, with activities such as antibacterial, antitumor, antiviral, cytotoxic, anticoagulant, and antihypertensive.…”
Section: Marine Natural Productsmentioning
confidence: 99%