2024
DOI: 10.1590/1519-6984.25066
|View full text |Cite
|
Sign up to set email alerts
|

Abstract: Nigella sativa is known for the safety profile, containing a wealth of useful antiviral compounds. The main protease (Mpro, 3CLpro) of severe acute respiratory syndrome 2 (SARS-CoV-2) is being considered as one of the most attractive viral target, processing the polyproteins during viral pathogenesis and replication. In the current investigation we analyzed the potency of active component, thymoquinone (TQ) of Nigella sativa against SARS-CoV-2 Mpro. The structures of TQ and Mpro was retrieved from PubChem (CID… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1

Citation Types

0
2
0
1

Publication Types

Select...
4
1

Relationship

0
5

Authors

Journals

citations
Cited by 5 publications
(3 citation statements)
references
References 49 publications
0
2
0
1
Order By: Relevance
“…To gain structural insights and understand the binding mode of molecular structures and protein targets, we applied molecular docking processes that were previously described as an efficient in silico approach [ 60 ]. Various experiments revealed that EOs could contribute to preventing the entry of SARS-CoV-2 into the human body and investigated the efficacy of EO compounds in the prevention and treatment of COVID-19 [ 31 , 59 , 61 , 62 , 63 ]. Da Silva et al used molecular docking analysis to determine the interaction of 171 essential oil components with SARS-CoV-2, showing that the compound with the best-normalized docking score to SARS-CoV-2 Mpro was the sesquiterpene hydrocarbon (E)-β-farnesene [ 64 ].…”
Section: Resultsmentioning
confidence: 99%
“…To gain structural insights and understand the binding mode of molecular structures and protein targets, we applied molecular docking processes that were previously described as an efficient in silico approach [ 60 ]. Various experiments revealed that EOs could contribute to preventing the entry of SARS-CoV-2 into the human body and investigated the efficacy of EO compounds in the prevention and treatment of COVID-19 [ 31 , 59 , 61 , 62 , 63 ]. Da Silva et al used molecular docking analysis to determine the interaction of 171 essential oil components with SARS-CoV-2, showing that the compound with the best-normalized docking score to SARS-CoV-2 Mpro was the sesquiterpene hydrocarbon (E)-β-farnesene [ 64 ].…”
Section: Resultsmentioning
confidence: 99%
“…Docking studies suggested TQ can bind human angiotensin‐converting enzyme 2 (ACE2) as the receptor of SARS‐CoV‐2 spike proteins (Jakhmola Mani et al, 2022; Srivastava et al, 2021; Xu et al, 2021) and a sheddase ADAM7 (a membrane‐bound metalloprotease) associated with the modulation of ACE2 (He et al, 2022), thus blocking the virus entry to human cells. Further studies show that TQ binds to SARS‐CoV‐2 Mpro via interaction with the active site (His41 and Cys145) and the Glu166 (Abdallah et al, 2022; Khan et al, 2024; Ullah et al, 2022). TQ as an unsubstituted quinone has inherent reactivity to free cysteine via thiol addition reaction (Li et al, 2005; Lu et al, 2010).…”
Section: Thymoquinone and Nigella Sativamentioning
confidence: 99%
“…B. Superoxiddismutase) und erhöht das körpereigene Antioxidans Glutathion [9]. TQ hemmt die Main-Protease und damit die Replikation der Viren [12] sowie die Produktion der NLRP3Inflammasome und damit die Produktion proinflammatorischer Mediatoren inklusive der Prosta glandine. Im Renin-Angiotensin-System hemmt TQ Angiotensin-II und verhindert so eine Vasokonstriktion, welche die Entstehung einer pulmonalen Hypertonie begünstigt.…”
Section: Wirkungsmechanismus Von Thymochinonunclassified