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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 23
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Research Articles

Pomegranate peel polyphenols prophylaxis against SARS-CoV-2 main protease by in-silico docking and molecular dynamics study

Madhulekha Rakshita Agricultural and Food Engineering Department, Indian Institute of Technology, Kharagpur, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-4113-573XView further author information
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Sunita Mudulib Department of Chemistry, Indian Institute of Technology, Kharagpur, IndiaORCID Iconhttps://orcid.org/0000-0003-2640-5981View further author information
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Prem Prakash Srivastava Agricultural and Food Engineering Department, Indian Institute of Technology, Kharagpur, IndiaORCID Iconhttps://orcid.org/0000-0002-6676-1289View further author information
ORCID Icon &
Sabyashachi Mishrab Department of Chemistry, Indian Institute of Technology, Kharagpur, India;c Centre for Computational and Data Sciences, Indian Institute of Technology, Kharagpur, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-2551-1021View further author information
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Pages 12917-12931 | Received 25 Nov 2020, Accepted 02 Sep 2021, Published online: 27 Sep 2021

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Adedayo Ayodeji Lanrewaju, Abimbola Motunrayo Enitan-Folami, Martin M. Nyaga, Saheed Sabiu & Feroz Mahomed Swalaha. (2023) Metabolites profiling and cheminformatics bioprospection of selected medicinal plants against the main protease and RNA-dependent RNA polymerase of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Articles from other publishers (5)

Sibei Lei, Xiaohua Chen, Jieping Wu, Xingmei Duan & Ke Men. (2022) Small molecules in the treatment of COVID-19. Signal Transduction and Targeted Therapy 7:1.
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Darshan Contractor, Christoph Globisch, Shiv Swaroop & Alok Jain. (2022) Structural basis of Omicron immune evasion: A comparative computational study. Computers in Biology and Medicine 147, pages 105758.
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Kaifu Gao, Rui Wang, Jiahui Chen, Limei Cheng, Jaclyn Frishcosy, Yuta Huzumi, Yuchi Qiu, Tom Schluckbier, Xiaoqi Wei & Guo-Wei Wei. (2022) Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2. Chemical Reviews 122:13, pages 11287-11368.
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Lennie KY Cheung & Rickey Y Yada. (2022) Predicting global diet-disease relationships at the atomic level: a COVID-19 case study. Current Opinion in Food Science 44, pages 100804.
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Heba A. Fahmy & Mohamed A. Farag. (2021) Ongoing and potential novel trends of pomegranate fruit peel; a comprehensive review of its health benefits and future perspectives as nutraceutical. Journal of Food Biochemistry 46:1.
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