Advanced search
Publication Cover
Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 15
Journal homepage
284
Views
7
CrossRef citations to date
0
Altmetric
Research Articles

Investigation of the inhibitory activity of some dietary bioactive flavonoids against SARS-CoV-2 using molecular dynamics simulations and MM-PBSA calculations

Jibin K. Varughesea Department of Chemistry, Sacred Heart College, Thevara, Kochi, Kerala, India
,
K. L. Joseph Libina Department of Chemistry, Sacred Heart College, Thevara, Kochi, Kerala, India
,
K. S. Sindhub Department of Chemistry, Morning Star Home Science College Angamaly, Kerala, IndiaORCID Iconhttps://orcid.org/0000-0003-1392-3974
ORCID Icon,
A. V. Rosilyb Department of Chemistry, Morning Star Home Science College Angamaly, Kerala, India
&
T. G. Abia Department of Chemistry, Sacred Heart College, Thevara, Kochi, Kerala, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-5915-8609
ORCID Icon
Pages 6755-6770 | Received 18 Jul 2020, Accepted 06 Feb 2021, Published online: 23 Feb 2021

Citations (7)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (2)

Bibi Kubra, Syed Lal Badshah, Shah Faisal, Mohamed Sharaf, Abdul-Hamid Emwas, Mariusz Jaremko & Mohnad Abdalla. (2023) Inhibition of the predicted allosteric site of the SARS-CoV-2 main protease through flavonoids. Journal of Biomolecular Structure and Dynamics 41:18, pages 9103-9120.
Read now
Weiling Chen, Zeqi Li, Yujiao Cheng, Guijie Li, Jiaqi Li, Linhua Huang, Qiuming Gu & Houjiu Wu. (2023) Content analysis and drug safety evaluation of four furanocoumarins in six pomelos produced in China. Natural Product Research 37:23, pages 3984-3993.
Read now

Articles from other publishers (5)

Andrés Portilla-Martínez, Miguel Ortiz-Flores, Isabel Hidalgo, Cristian Gonzalez-Ruiz, Eduardo Meaney, Guillermo Ceballos & Nayelli Nájera. (2022) In silico evaluation of flavonoids as potential inhibitors of SARS-CoV-2 main nonstructural proteins (Nsps)—amentoflavone as a multitarget candidate. Journal of Molecular Modeling 28:12.
Crossref
Rajan Jeevana, Abu Pilakkaveettil Kavitha, Thoppilan G. Abi, Pookkottu K. Sajith, Jibin K. Varughese & Kuttamath Kunniyur Aravindakshan. (2022) Targeting COVID-19 pandemic: in silico evaluation of 2-hydroxy-1, 2-diphenylethanone N(4)-methyl-N(4)-phenylthiosemicarbazone as a potential inhibitor of SARS-CoV-2. Structural Chemistry.
Crossref
Jibin K. Varughese, Kavitha J, Sindhu K. S, Dhiya Francis, Joseph Libin K. L & Abi T. G. (2022) Identification of some dietary flavonoids as potential inhibitors of TMPRSS2 through protein–ligand interaction studies and binding free energy calculations. Structural Chemistry 33:5, pages 1489-1502.
Crossref
Adnan Cetin. (2022) Some Flavolignans as Potent Sars-Cov-2 Inhibitors via Molecular Docking, Molecular Dynamic Simulations and ADME Analysis. Current Computer-Aided Drug Design 18:5, pages 337-346.
Crossref
Mohammad Amin Khazeei Tabari, Amin Iranpanah, Roodabeh Bahramsoltani & Roja Rahimi. (2021) Flavonoids as Promising Antiviral Agents against SARS-CoV-2 Infection: A Mechanistic Review. Molecules 26:13, pages 3900.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.