ubb6nb0

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?:abstract	Effective treatment choices to the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) are limited because of the absence of effective target-based therapeutics The main object of the current research was to estimate the antiviral activity of cannabinoids (CBDs) against the human coronavirus SARS-CoV-2 In the presented research work, we performed in silico and in vitro experiments to aid the sighting of lead CBDs for treating the viral infections of SARS-CoV-2 Virtual screening was carried out for interactions between 32 CBDs and the SARS-CoV-2 Mpro enzyme Afterward, in vitro antiviral activity was carried out of five CBDs molecules against SARS-CoV-2 Interestingly, among them, two CBDs molecules namely DELTA9 -tetrahydrocannabinol (IC50 = 10 25 muM) and cannabidiol (IC50 = 7 91 muM) were observed to be more potent antiviral molecules against SARS-CoV-2 compared to the reference drugs lopinavir, chloroquine, and remdesivir (IC50 ranges of 8 16-13 15 muM) These molecules were found to have stable conformations with the active binding pocket of the SARS-CoV-2 Mpro by molecular dynamic simulation and density functional theory Our findings suggest cannabidiol and DELTA9 -tetrahydrocannabinol are possible drugs against human coronavirus that might be used in combination or with other drug molecules to treat COVID-19 patients Effective treatment choices to the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) are limited because of the absence of effective target-based therapeutics. The main object of the current research was to estimate the antiviral activity of cannabinoids (CBDs) against the human coronavirus SARS-CoV-2. In the presented research work, we performed in silico and in vitro experiments to aid the sighting of lead CBDs for treating the viral infections of SARS-CoV-2. Virtual screening was carried out for interactions between 32 CBDs and the SARS-CoV-2 Mpro enzyme. Afterward, in vitro antiviral activity was carried out of five CBDs molecules against SARS-CoV-2. Interestingly, among them, two CBDs molecules namely Δ (Yu et al., 2020 [9])-tetrahydrocannabinol (IC50â¯=â¯10.25â¯µM) and cannabidiol (IC50â¯=â¯7.91â¯µM) were observed to be more potent antiviral molecules against SARS-CoV-2 compared to the reference drugs lopinavir, chloroquine, and remdesivir (IC50 ranges of 8.16-13.15â¯µM). These molecules were found to have stable conformations with the active binding pocket of the SARS-CoV-2 Mpro by molecular dynamic simulation and density functional theory. Our findings suggest cannabidiol and Δ (Yu et al., 2020 [9])-tetrahydrocannabinol are possible drugs against human coronavirus that might be used in combination or with other drug molecules to treat COVID-19 patients.
is ?:annotates of	<https://research.tib.eu/covid-19/entity/3ubb6nb0_hasAnnotation_C0013227> <https://research.tib.eu/covid-19/entity/3ubb6nb0_hasAnnotation_C0206422> <https://research.tib.eu/covid-19/entity/3ubb6nb0_hasAnnotation_C5203676>
?:creator	<https://research.tib.eu/covid-19/entity/Raj%2C_V.%3B_Park%2C_J._G.%3B_Cho%2C_K._H.%3B_Choi%2C_P.%3B_Kim%2C_T.%3B_Ham%2C_J.%3B_Lee%2C_J.> <https://research.tib.eu/covid-19/entity/Raj%2C_Vinit%3B_Park%2C_Jae_Gyu%3B_Cho%2C_Kiu-Hyung%3B_Choi%2C_Pilju%3B_Kim%2C_Taejung%3B_Ham%2C_Jungyeob%3B_Lee%2C_Jintae>
?:journal	Int._j._biol._macromol International_Journal_of_Biological_Macromolecules
?:license	unk
?:publication_isRelatedTo_Disease	<https://research.tib.eu/covid-19/entity/COVID-19>
is ?:relation_isRelatedTo_publication of	<https://research.tib.eu/covid-19/entity/3ubb6nb0_HAS_C0039663_INTERACTS_WITH_C0006864>
?:source	WHO
?:title	Assessment of antiviral potencies of cannabinoids against SARS-CoV-2 using computational and in vitro approaches
?:type	<https://research.tib.eu/covid-19/vocab/Publication>
?:who_covidence_id	#1065144 #957114
?:year	2020 2021

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?:abstract

Effective treatment choices to the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) are limited because of the absence of effective target-based therapeutics The main object of the current research was to estimate the antiviral activity of cannabinoids (CBDs) against the human coronavirus SARS-CoV-2 In the presented research work, we performed in silico and in vitro experiments to aid the sighting of lead CBDs for treating the viral infections of SARS-CoV-2 Virtual screening was carried out for interactions between 32 CBDs and the SARS-CoV-2 Mpro enzyme Afterward, in vitro antiviral activity was carried out of five CBDs molecules against SARS-CoV-2 Interestingly, among them, two CBDs molecules namely DELTA9 -tetrahydrocannabinol (IC50 = 10 25 muM) and cannabidiol (IC50 = 7 91 muM) were observed to be more potent antiviral molecules against SARS-CoV-2 compared to the reference drugs lopinavir, chloroquine, and remdesivir (IC50 ranges of 8 16-13 15 muM) These molecules were found to have stable conformations with the active binding pocket of the SARS-CoV-2 Mpro by molecular dynamic simulation and density functional theory Our findings suggest cannabidiol and DELTA9 -tetrahydrocannabinol are possible drugs against human coronavirus that might be used in combination or with other drug molecules to treat COVID-19 patients
Effective treatment choices to the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) are limited because of the absence of effective target-based therapeutics. The main object of the current research was to estimate the antiviral activity of cannabinoids (CBDs) against the human coronavirus SARS-CoV-2. In the presented research work, we performed in silico and in vitro experiments to aid the sighting of lead CBDs for treating the viral infections of SARS-CoV-2. Virtual screening was carried out for interactions between 32 CBDs and the SARS-CoV-2 Mpro enzyme. Afterward, in vitro antiviral activity was carried out of five CBDs molecules against SARS-CoV-2. Interestingly, among them, two CBDs molecules namely Δ (Yu et al., 2020 [9])-tetrahydrocannabinol (IC50â¯=â¯10.25â¯µM) and cannabidiol (IC50â¯=â¯7.91â¯µM) were observed to be more potent antiviral molecules against SARS-CoV-2 compared to the reference drugs lopinavir, chloroquine, and remdesivir (IC50 ranges of 8.16-13.15â¯µM). These molecules were found to have stable conformations with the active binding pocket of the SARS-CoV-2 Mpro by molecular dynamic simulation and density functional theory. Our findings suggest cannabidiol and Δ (Yu et al., 2020 [9])-tetrahydrocannabinol are possible drugs against human coronavirus that might be used in combination or with other drug molecules to treat COVID-19 patients.

is ?:annotates of