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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 5
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Research Articles

Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds

Konda Mani Saravanana Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, PR ChinaORCID Iconhttps://orcid.org/0000-0002-5541-234X
ORCID Icon,
Haiping Zhanga Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, PR China
,
Renganathan Senthilb Department of Bioinformatics, Marudupandiyar College & Lysine Biotech Pvt Ltd, Thanjavur, Tamilnadu, India
,
Kevin Kumar Vijayakumarc Department of Molecular Microbiology, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamilnadu, India
,
Vignesh Sounderrajand Department of Zoology, GTN Arts college, Dindigul, Tamilnadu, India
,
Yanjie Weia Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, PR ChinaCorrespondence[email protected] [email protected]
&
Harshavardhan Shakilac Department of Molecular Microbiology, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamilnadu, IndiaCorrespondence[email protected] [email protected]
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Pages 1970-1978 | Received 03 Jun 2020, Accepted 04 Oct 2020, Published online: 19 Oct 2020

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Vaishnavi Shanmugam & Soundararajn Muthukrishnan. (2023) Investigation of novel ligand targeting bromodomain-containing protein 4 (BRD4) for cancer drug discovery: complete pharmacophore approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Romuald Tematio Fouedjou, Samir Chtita, Mohamed Bakhouch, Salah Belaidi, Mebarka Ouassaf, Loris Alvine Djoumbissie, Léon Azefack Tapondjou & Faizan Abul Qais. (2022) Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors. Journal of Biomolecular Structure and Dynamics 40:19, pages 8615-8629.
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Kateryna V. Miroshnychenko & Anna V. Shestopalova. (2022) Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study. Journal of Biomolecular Structure and Dynamics 40:19, pages 8672-8686.
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Shaza S. Issa, Sofia V. Sokornova, Roman R. Zhidkin & Tatiana V. Matveeva. (2022) The Main Protease of SARS-CoV-2 as a Target for Phytochemicals against Coronavirus. Plants 11:14, pages 1862.
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Deepa. K. Nair, B. Shanthi B. Shanthi, Supriya Simon A & V.S Kalaiselvi V.S Kalaiselvi. (2022) Phytochemical and GCMS Analysis of Methanolic Leaf Extract of Bauhinia variegate. Biomedical and Pharmacology Journal 15:2, pages 1161-1165.
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Yue Zhang, Huijie Chen, Mengmeng Zou, Rick Oerlemans, Changhao Shao, Yudong Ren, Ruili Zhang, Xiaodan Huang, Guangxing Li & Yingying Cong. (2021) Hypericin Inhibit Alpha-Coronavirus Replication by Targeting 3CL Protease. Viruses 13:9, pages 1825.
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Mina Maddah, Roodabeh Bahramsoltani, Nafiseh Hoseini Yekta, Roja Rahimi, Rasoul Aliabadi & Mahdi Pourfath. (2021) Proposing high-affinity inhibitors from Glycyrrhiza glabra L. against SARS-CoV-2 infection: virtual screening and computational analysis . New Journal of Chemistry 45:35, pages 15977-15995.
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Konda Mani Saravanan, Haiping Zhang, Md. Tofazzal Hossain, Md. Selim Reza & Yanjie Wei. 2021. In Silico Modeling of Drugs Against Coronaviruses. In Silico Modeling of Drugs Against Coronaviruses 631 660 .

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