The SARS-CoV-2 outbreak that is spreading rapidly around the world requires urgently effective treatments. Therefore, in silico drug repurposing represents a powerful strategy to enable the acceleration of the identification of drug candidates with already known safety profiles. The SARS-CoV-2 main protease is essential for viral replication and an attractive drug target. This study used the virtual screening protocol with both long-range and short-range interactions to select candidate SARS-CoV-2 main protease inhibitors. The Informational spectrum method developed for small molecules was first applied for searching the Drugbank database of antiparasitic agents and further followed by molecular docking. After in silico screening of drug space, we propose several drugs as potential SARS-CoV-2 main protease inhibitors for further experimental testing.
Keywords:
SARS-CoV-2 / main protease / virtual screening / drug repurposing / antiparasitics
Source:
Biologia Serbica : Belgrade BioInformatics Conference : BelBi2021 : Book of Abstracts, 2021, 43, 1, 111-111
Publisher:
Department of Biology and Ecology : Faculty of Sciences University of Novi Sad
TY - CONF
AU - Senćanski, Milan
AU - Milićević, Jelena S.
AU - Perović, Vladimir R.
AU - Glišić, Sanja
PY - 2021
UR - https://vinar.vin.bg.ac.rs/handle/123456789/11016
AB - The SARS-CoV-2 outbreak that is spreading rapidly around the world requires urgently effective treatments. Therefore, in silico drug repurposing represents a powerful strategy to enable the acceleration of the identification of drug candidates with already known safety profiles. The SARS-CoV-2 main protease is essential for viral replication and an attractive drug target. This study used the virtual screening protocol with both long-range and short-range interactions to select candidate SARS-CoV-2 main protease inhibitors. The Informational spectrum method developed for small molecules was first applied for searching the Drugbank database of antiparasitic agents and further followed by molecular docking. After in silico screening of drug space, we propose several drugs as potential SARS-CoV-2 main protease inhibitors for further experimental testing.
PB - Department of Biology and Ecology : Faculty of Sciences University of Novi Sad
C3 - Biologia Serbica : Belgrade BioInformatics Conference : BelBi2021 : Book of Abstracts
T1 - Repurposing of antiparasitic drugs for Candidate SARS-CoV-2 Main Protease Inhibitors by combined in silico Method
VL - 43
IS - 1
SP - 111
EP - 111
UR - https://hdl.handle.net/21.15107/rcub_vinar_11016
ER -
@conference{
author = "Senćanski, Milan and Milićević, Jelena S. and Perović, Vladimir R. and Glišić, Sanja",
year = "2021",
abstract = "The SARS-CoV-2 outbreak that is spreading rapidly around the world requires urgently effective treatments. Therefore, in silico drug repurposing represents a powerful strategy to enable the acceleration of the identification of drug candidates with already known safety profiles. The SARS-CoV-2 main protease is essential for viral replication and an attractive drug target. This study used the virtual screening protocol with both long-range and short-range interactions to select candidate SARS-CoV-2 main protease inhibitors. The Informational spectrum method developed for small molecules was first applied for searching the Drugbank database of antiparasitic agents and further followed by molecular docking. After in silico screening of drug space, we propose several drugs as potential SARS-CoV-2 main protease inhibitors for further experimental testing.",
publisher = "Department of Biology and Ecology : Faculty of Sciences University of Novi Sad",
journal = "Biologia Serbica : Belgrade BioInformatics Conference : BelBi2021 : Book of Abstracts",
title = "Repurposing of antiparasitic drugs for Candidate SARS-CoV-2 Main Protease Inhibitors by combined in silico Method",
volume = "43",
number = "1",
pages = "111-111",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11016"
}
Senćanski, M., Milićević, J. S., Perović, V. R.,& Glišić, S.. (2021). Repurposing of antiparasitic drugs for Candidate SARS-CoV-2 Main Protease Inhibitors by combined in silico Method. in Biologia Serbica : Belgrade BioInformatics Conference : BelBi2021 : Book of Abstracts
Department of Biology and Ecology : Faculty of Sciences University of Novi Sad., 43(1), 111-111.
https://hdl.handle.net/21.15107/rcub_vinar_11016
Senćanski M, Milićević JS, Perović VR, Glišić S. Repurposing of antiparasitic drugs for Candidate SARS-CoV-2 Main Protease Inhibitors by combined in silico Method. in Biologia Serbica : Belgrade BioInformatics Conference : BelBi2021 : Book of Abstracts. 2021;43(1):111-111.
https://hdl.handle.net/21.15107/rcub_vinar_11016 .
Senćanski, Milan, Milićević, Jelena S., Perović, Vladimir R., Glišić, Sanja, "Repurposing of antiparasitic drugs for Candidate SARS-CoV-2 Main Protease Inhibitors by combined in silico Method" in Biologia Serbica : Belgrade BioInformatics Conference : BelBi2021 : Book of Abstracts, 43, no. 1 (2021):111-111,
https://hdl.handle.net/21.15107/rcub_vinar_11016 .
