"Drug-likeness" properties of natural compounds
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
"Drug-likeness" properties of natural compounds
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
"Drug-likeness" properties of natural compounds
Popis výsledku anglicky
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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10401 - Organic chemistry
Návaznosti výsledku
Projekt
<a href="/cs/project/EF16_027%2F0008351" target="_blank" >EF16_027/0008351: ChemJets UCT Prague</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2019
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Physical Sciences Reviews
ISSN
2365-6581
e-ISSN
2365-659X
Svazek periodika
4
Číslo periodika v rámci svazku
11
Stát vydavatele periodika
DE - Spolková republika Německo
Počet stran výsledku
14
Strana od-do
—
Kód UT WoS článku
000494966100004
EID výsledku v databázi Scopus
—