Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"

Original language description

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 &quot;drug-like&quot; molecule and a &quot;lead-like&quot; one. In particular, &quot;drug-likeness&quot; is referred to as resemblance to existing drugs, whereas &quot;lead-likeness&quot; is characterized by the similarity with structural and physicochemical properties of a &quot;lead&quot;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 &quot;drug-likeness&quot; and &quot;leadlikeness&quot; 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 &quot;drug&quot;, a &quot;lead&quot; or a &quot;natural compound.&quot;

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

30107 - Medicinal 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

Name of the periodical

Physical Sciences Reviews

ISSN

2365-6581

e-ISSN

2365-659X

Volume of the periodical

4

Issue of the periodical within the volume

12

Country of publishing house

DE - GERMANY

Number of pages

18

Pages from-to

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UT code for WoS article

000498892300004

EID of the result in the Scopus database

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