Computer Aided Drug Design: Success and Limitations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00159816%3A_____%2F16%3A00068476" target="_blank" >RIV/00159816:_____/16:00068476 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216305:26220/16:PU117768

Výsledek na webu

<a href="http://dx.doi.org/10.2174/1381612822666151125000550" target="_blank" >http://dx.doi.org/10.2174/1381612822666151125000550</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2174/1381612822666151125000550" target="_blank" >10.2174/1381612822666151125000550</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Computer Aided Drug Design: Success and Limitations

Popis výsledku v původním jazyce

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

Název v anglickém jazyce

Computer Aided Drug Design: Success and Limitations

Popis výsledku anglicky

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

30104 - Pharmacology and pharmacy

Projekt

<a href="/cs/project/ED1.100%2F02%2F0123" target="_blank" >ED1.100/02/0123: Fakultní nemocnice u sv. Anny v Brně - Mezinárodní centrum klinického výzkumu (FNUSA - ICRC)</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Current Pharmaceutical Design

ISSN

1381-6128

e-ISSN

—

Svazek periodika

22

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

572-581

Kód UT WoS článku

000372071200008

EID výsledku v databázi Scopus

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