Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F19%3A43919350" target="_blank" >RIV/60461373:22310/19:43919350 - isvavai.cz</a>
Výsledek na webu
<a href="https://www.degruyter.com/view/j/psr.2019.4.issue-12/psr-2018-0101/psr-2018-0101.xml" target="_blank" >https://www.degruyter.com/view/j/psr.2019.4.issue-12/psr-2018-0101/psr-2018-0101.xml</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1515/psr-2018-0101" target="_blank" >10.1515/psr-2018-0101</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"
Popis výsledku v původním jazyce
The discovery of a drug is known to be quite cumbersome, both in terms of the microscopic fundamental research behind it and the industrial scale manufacturing process. A major concern in drug discovery is the acceleration of the process and cost reduction. The fact that clinical trials cannot be accelerated, therefore, emphasizes the need to accelerate the strategies for identifying lead compounds at an early stage. We, herein, focus on the definition of what would be regarded as a "drug-like" molecule and a "lead-like" one. In particular, "drug-likeness" is referred to as resemblance to existing drugs, whereas "lead-likeness" is characterized by the similarity with structural and physicochemical properties of a "lead"compound, i.e. a reference compound or a starting point for further drug development. It is now well known that a huge proportion of the drug discovery is inspired or derived from natural products (NPs), which have larger complexity as well as size when compared with synthetic compounds. Therefore, similar definitions of "drug-likeness" and "leadlikeness" cannot be applied for the NP-likeness. Rather, there is the dire need to define and explain NP-likeness in regard to chemical structure. An attempt has been made here to give an overview of the general concepts associated with NP discovery, and to provide the foundational basis for defining a molecule as a "drug", a "lead" or a "natural compound."
Název v anglickém jazyce
Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"
Popis výsledku anglicky
The discovery of a drug is known to be quite cumbersome, both in terms of the microscopic fundamental research behind it and the industrial scale manufacturing process. A major concern in drug discovery is the acceleration of the process and cost reduction. The fact that clinical trials cannot be accelerated, therefore, emphasizes the need to accelerate the strategies for identifying lead compounds at an early stage. We, herein, focus on the definition of what would be regarded as a "drug-like" molecule and a "lead-like" one. In particular, "drug-likeness" is referred to as resemblance to existing drugs, whereas "lead-likeness" is characterized by the similarity with structural and physicochemical properties of a "lead"compound, i.e. a reference compound or a starting point for further drug development. It is now well known that a huge proportion of the drug discovery is inspired or derived from natural products (NPs), which have larger complexity as well as size when compared with synthetic compounds. Therefore, similar definitions of "drug-likeness" and "leadlikeness" cannot be applied for the NP-likeness. Rather, there is the dire need to define and explain NP-likeness in regard to chemical structure. An attempt has been made here to give an overview of the general concepts associated with NP discovery, and to provide the foundational basis for defining a molecule as a "drug", a "lead" or a "natural compound."
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
30107 - Medicinal 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
12
Stát vydavatele periodika
DE - Spolková republika Německo
Počet stran výsledku
18
Strana od-do
—
Kód UT WoS článku
000498892300004
EID výsledku v databázi Scopus
—