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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 17
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Research Articles

A computational study on active constituents of Habb-ul-aas and Tabasheer as inhibitors of SARS-CoV-2 main protease

Shariq Shamsia Department of Ilmul Saidla (Unani Pharmacy), National Institute of Unani Medicine, Bengaluru, Ministry of AYUSH, Govt. of India, Bangalore, India
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Hina Anjuma Department of Ilmul Saidla (Unani Pharmacy), National Institute of Unani Medicine, Bengaluru, Ministry of AYUSH, Govt. of India, Bangalore, India
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Mohd Shahbaazb South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville, Cape Town, South Africa;c Laboratory of Computational Modeling of Drugs, South Ural State University, Chelyabinsk, Russia
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Mohd Shahnawaz Khand Protein Research Chair, Department of Biochemistry, College of Sciences, King Saud University, Riyadh, Saudi Arabia
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Farid S. Atayad Protein Research Chair, Department of Biochemistry, College of Sciences, King Saud University, Riyadh, Saudi Arabia
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Alya Alamrid Protein Research Chair, Department of Biochemistry, College of Sciences, King Saud University, Riyadh, Saudi Arabia
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Fahad A. Alhumaydhie Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi Arabia;ORCID Iconhttps://orcid.org/0000-0002-0151-8309
ORCID Icon,
Fohad Mabood Husainf Department of Food Science and Nutrition, Faculty of Food and Agricultural Sciences, King Saud University, Riyadh, Saudi Arabia
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Md. Tabish Rehmang Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia
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Taj Mohammadh Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, Jamia Nagar, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0002-0399-4835
ORCID Icon,
Asimul Islamh Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, Jamia Nagar, New Delhi, India
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Farah Anjumi Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, Taif, Saudi Arabia
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Anas Shamsih Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, Jamia Nagar, New Delhi, India;j Centre of Medical and Bio-Allied Health Sciences Research, Ajman University, Ajman, United Arab EmiratesCorrespondence[email protected]
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Pages 7702-7713 | Received 15 Feb 2021, Accepted 04 Mar 2021, Published online: 24 Mar 2021

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Mohd Shahnawaz Khan, Nojood Altwaijry, Moneera Saud Al-Bagmi, Nouf Omar Alafaleq, Majed S. Alokail, Moyad Shahwan & Anas Shamsi. (2023) Structure-guided identification of potent inhibitors of ROS1 kinase for therapeutic development against non-small cell lung cancer. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-11.
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Sali Abubaker Bagabir. (2023) Investigating the potential of natural compounds as novel inhibitors of SARS-CoV-2 RdRP using computational approaches. Biotechnology and Genetic Engineering Reviews 0:0, pages 1-21.
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Articles from other publishers (2)

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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Yinzhu Hou, Zuqing Liang, Luyu Qi, Chao Tang, Xingkai Liu, Jilin Tang, Yao Zhao, Yanyan Zhang, Tiantian Fang, Qun Luo, Shijun Wang & Fuyi Wang. (2022) Baicalin Targets HSP70/90 to Regulate PKR/PI3K/AKT/eNOS Signaling Pathways. Molecules 27:4, pages 1432.
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