"Drug-likeness" properties of natural compounds

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F19%3A43919272" target="_blank" >RIV/60461373:22310/19:43919272 - isvavai.cz</a>
Result on the web
<a href="https://www.degruyter.com/view/j/psr.2019.4.issue-11/psr-2018-0169/psr-2018-0169.xml" target="_blank" >https://www.degruyter.com/view/j/psr.2019.4.issue-11/psr-2018-0169/psr-2018-0169.xml</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1515/psr-2018-0169" target="_blank" >10.1515/psr-2018-0169</a>

Result language
angličtina
Original language name
"Drug-likeness" properties of natural compounds
Original language description
Our previous work was focused on the fundamental physical and chemical concepts behind "drug-likeness" and "natural product (NP)-likeness". Herein, we discuss further details on the concepts of "drug-likeness", "lead-likeness" and "NP-likeness". The discussion will first focus on NPs as drugs, then a discussion of previous studies in which the complexities of the scaffolds and chemical space of naturally occurring compounds have been compared with synthetic, semisynthetic compounds and the Food and Drug Administration-approved drugs. This is followed by guiding principles for designing "drug-like" natural product libraries for lead compound discovery purposes. In addition, we present a tool for measuring "NP-likeness" of compounds and a brief presentation of machine-learning approaches. A binary quantitative structure-activity relationship for classifying drugs from nondrugs and natural compounds from nonnatural ones is also described. While the studies add to the plethora of recently published works on the "drug-likeness" of NPs, it no doubt increases our understanding of the physicochemical properties that make NPs fall within the ranges associated with "drug-like" molecules.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10401 - Organic chemistry

Project
<a href="/en/project/EF16_027%2F0008351" target="_blank" >EF16_027/0008351: ChemJets UCT Prague</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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