Virtual screening of potential anticancer drugs based on microbial products
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00159816%3A_____%2F22%3A00077677" target="_blank" >RIV/00159816:_____/22:00077677 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14310/22:00127621
Result on the web
<a href="https://www.sciencedirect.com/science/article/abs/pii/S1044579X21002078?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/abs/pii/S1044579X21002078?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.semcancer.2021.07.012" target="_blank" >10.1016/j.semcancer.2021.07.012</a>
Alternative languages
Result language
angličtina
Original language name
Virtual screening of potential anticancer drugs based on microbial products
Original language description
The development of microbial products for cancer treatment has been in the spotlight in recent years. In order to accelerate the lengthy and expensive drug development process, in silico screening tools are systematically employed, especially during the initial discovery phase. Moreover, considering the steadily increasing number of molecules approved by authorities for commercial use, there is a demand for faster methods to repurpose such drugs. Here we present a review on virtual screening web tools, such as publicly available databases of molecular targets and libraries of ligands, with the aim to facilitate the discovery of potential anticancer drugs based on microbial products. We provide an entry-level step-by-step description of the workflow for virtual screening of microbial metabolites with known protein targets, as well as two practical examples using freely available web tools. The first case presents a virtual screening study of drugs developed from microbial products using Caver Web, a web tool that performs docking along a tunnel. The second case comprises a comparative analysis between a wild type isocitrate dehydrogenase 1 and a mutant that results in cancer, using the recently developed web tool PredictSNPOnco. In summary, this review provides the basic and essential background information necessary for virtual screening experiments, which may accelerate the discovery of novel anticancer drugs.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
30204 - Oncology
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
SEMINARS IN CANCER BIOLOGY
ISSN
1044-579X
e-ISSN
1096-3650
Volume of the periodical
86
Issue of the periodical within the volume
November
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
1207-1217
UT code for WoS article
000882850000005
EID of the result in the Scopus database
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