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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 11
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Research Articles

Identification of phytochemicals from Eclipta alba and assess their potentiality against Hepatitis C virus envelope glycoprotein: virtual screening, docking, and molecular dynamics simulation study

Maheswata MoharanaDepartment of Chemistry, National Institute of Technology, Raipur, India
,
Subrat Kumar PattanayakDepartment of Chemistry, National Institute of Technology, Raipur, IndiaCorrespondence[email protected] [email protected]
&
Fahmida KhanDepartment of Chemistry, National Institute of Technology, Raipur, IndiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0001-5802-2112
ORCID Icon
Pages 5328-5344 | Received 13 Dec 2021, Accepted 30 May 2022, Published online: 11 Jun 2022

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Maheswata Moharana, Subrat Kumar Pattanayak & Fahmida Khan. (2023) Bioactive compounds from Pandanous fascicularis as potential therapeutic candidate to tackle hepatitis a inhibition: Docking and molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 41:20, pages 10478-10494.
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Maheswata Moharana, Subrat Kumar Pattanayak & Fahmida Khan. (2023) Molecular recognition of bio-active triterpenoids from Swertia chirayita towards hepatitis Delta antigen: a mechanism through docking, dynamics simulation, Gibbs free energy landscape. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Articles from other publishers (2)

Kshama Rai, Kanchan Yadav, Megha Das, Shilpi Chaudhary, Kaustubh Naik, Priya Singh, Ashutosh Kumar Dubey, Sanjeev Kumar Yadav, Shashi Bhushan Agrawal & Avanish Singh Parmar. (2023) Effect of carbon quantum dots derived from extracts of UV-B-exposed Eclipta alba on alcohol-induced liver cirrhosis in Golden Hamster. Photochemical & Photobiological Sciences 22:7, pages 1543-1559.
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Maheswata Moharana, Subrat Kumar Pattanayak & Fahmida Khan. (2022) Computational efforts to identify natural occurring compounds from phyllanthus niruri that target hepatitis B viral infections: DFT, docking and dynamics simulation study. Journal of the Indian Chemical Society 99:9, pages 100662.
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