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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 2
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Research Articles

In silico screening and covalent binding of phytochemicals of Ocimum sanctum against SARS-CoV-2 (COVID 19) main protease

Pranab Kishor Mohapatraa Department of Chemistry, C. V. Raman Global University, Bhubaneswar, Odisha, IndiaCorrespondence[email protected] [email protected]
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,
Kumar Sambhav Chopdarb Department of Zoology, Rajendra College, Balangir, Odisha, IndiaView further author information
,
Ganesh Chandra Dashc Department of Chemistry, APS College, Balangir, Odisha, IndiaView further author information
,
Abhay Kumar Mohantyd AI/ML Centre of Excellence, Department of Computer Science and Information Technology, CV Raman Global University, Bhubaneswar, Odisha, IndiaView further author information
&
Mukesh Kumar Ravale School of Chemistry, Gangadhar Meher University, Sambalpur, Odisha, IndiaCorrespondence[email protected] [email protected]
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Pages 435-444 | Received 17 Oct 2020, Accepted 11 Nov 2021, Published online: 25 Nov 2021

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Shenvi Kudchadker Gayatri, Vaishnavi Chhabra, Harish Kumar & M. Elizabeth Sobhia. (2023) Identification of prospective covalent inhibitors for SARS-CoV-2 main protease using structure-based approach. Journal of Biomolecular Structure and Dynamics 41:16, pages 7913-7930.
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Rowida Omar, Mohamed Abd El-Salam, Marwa Elsbaey & Madiha Hassan. (2023) Fourteen immunomodulatory alkaloids and two prenylated phenylpropanoids with dual therapeutic approach for COVID-19: molecular docking and dynamics studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Articles from other publishers (6)

Shabir Ahmad Mir, Yahya Madkhali, Ahmad Firoz, Ayoub Al Othaim, Wael Alturaiki, Sami G. Almalki, Abdulrahman Algarni & Suliman A. Alsagaby. (2023) Inhibitory Potential of the Ocimum sanctum Phytochemicals on Bruton’s Tyrosine Kinase, a Well-Known Drug Target for Treatment of Chronic Lymphocytic Leukemia: An In Silico Investigation. Molecules 28:8, pages 3287.
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Riya Dahiya, Mr. Puneet, Sunil Kumar Dhiman & Anjali Priyadarshani. (2022) A Comprehensive Review on Potential and Prospects of Traditional Medicinal Plants for Management of Coronavirus Disease (COVID-19). Vantage: Journal of Thematic Analysis, pages 88-103.
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Suhasini M. Iyengar, Kelly K. Barnsley, Hoang Yen Vu, Ian Jef A. Bongalonta, Alyssa S. Herrod, Jasmine A. Scott & Mary Jo Ondrechen. (2022) Identification and characterization of alternative sites and molecular probes for SARS-CoV-2 target proteins. Frontiers in Chemistry 10.
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Lúcio Ricardo Leite Diniz, Hatem A. Elshabrawy, Marilia Trindade S. Souza, Allana Brunna Sucupira Duarte, Nikhil Madhav & Damião Pergentino de Sousa. (2022) Renoprotective Effects of Luteolin: Therapeutic Potential for COVID-19-Associated Acute Kidney Injuries. Biomolecules 12:11, pages 1544.
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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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Ranjan K. Mohapatra, Mohammad Azam, Pranab K. Mohapatra, Ashish K. Sarangi, Mohnad Abdalla, Lina Perekhoda, Oval Yadav, Saud I. Al-Resayes, Kim Jong-Doo, Kuldeep Dhama, Azaj Ansari, Veronique Seidel, Sarika Verma & Mukesh K. Raval. (2022) Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action. Journal of King Saud University - Science 34:5, pages 102086.
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