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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 18
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Research Articles

In Silico molecular docking and dynamic analysis of natural compounds against major non-structural proteins of SARS-COV-2

Muneeb U. Rehmana Department of Clinical Pharmacy, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-9995-6576View further author information
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Aarif Alib Department of Clinical Biochemistry, School of Biological Sciences, University of Kashmir, Hazratbal, Srinagar, J&K, IndiaORCID Iconhttps://orcid.org/0000-0001-8789-2715View further author information
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Ruhban Ansarb Department of Clinical Biochemistry, School of Biological Sciences, University of Kashmir, Hazratbal, Srinagar, J&K, IndiaView further author information
,
Azher Arafaha Department of Clinical Pharmacy, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaView further author information
,
Zuha Imtiyazc Department of Pathology, University Maryland School of Medicine, University of Maryland, Baltimore, MD, USAView further author information
,
Tanveer A. Wanid Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaView further author information
,
Seema Zargare Department of Biochemistry, College of Science, King Saud University, Riyadh, Saudi ArabiaView further author information
&
Showkat A. Ganieb Department of Clinical Biochemistry, School of Biological Sciences, University of Kashmir, Hazratbal, Srinagar, J&K, IndiaORCID Iconhttps://orcid.org/0000-0001-6295-4959View further author information
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Pages 9072-9088 | Received 24 May 2022, Accepted 19 Oct 2022, Published online: 03 Nov 2022

Citations (7)

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Sabrina Islam, Rahagir Salekeen & Ayesha Ashraf. (2023) Computational screening of natural MtbDXR inhibitors for novel anti-tuberculosis compound discovery. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-11.
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Articles from other publishers (6)

Rana M Aldossari, Aarif Ali, Summya Rashid, Muneeb U Rehman, Sheikh Bilal Ahmad & Bashir Ahmad Malla. (2023) Insights on in-silico approaches for identifying potential bioactive inhibitors for TNF-α and IL-6 proteins associated with rheumatoid arthritis. Arabian Journal of Chemistry 16:11, pages 105200.
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Lusanda M. Mtetwa, Elliasu Y. Salifu, Calvin A. Omolo, Mahmoud E. Soliman & Mbuso. Faya. (2023) Halting aberrant DNA methylation via in silico Identification of potent inhibitors of DNMT3B enzyme: Atomistic insights. Computational Biology and Chemistry 105, pages 107909.
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Aarif Ali, Muneeb U. Rehman, Saima Mushtaq, Sheikh Bilal Ahmad, Altaf Khan, Anik Karan, Amir Bashir Wani, Showkat Ahmad Ganie & Manzoor Ur Rahman Mir. (2023) Biochemical and Computational Assessment of Acute Phase Proteins in Dairy Cows Affected with Subclinical Mastitis. Current Issues in Molecular Biology 45:7, pages 5317-5346.
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Aarif Ali, Gh Jeelani Mir, Aadil Ayaz, Illiyas Maqbool, Sheikh Bilal Ahmad, Saima Mushtaq, Altaf Khan, Tahir Maqbool Mir & Muneeb U. Rehman. (2023) In silico analysis and molecular docking studies of natural compounds of Withania somnifera against bovine NLRP9. Journal of Molecular Modeling 29:6.
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Jieting Wu, Tian Gao, Haijuan Guo, Lei Zhao, Sidi Lv, Jin Lv, Ruyi Yao, Yanyi Yu & Fang Ma. (2023) Application of molecular dynamics simulation for exploring the roles of plant biomolecules in promoting environmental health. Science of The Total Environment 869, pages 161871.
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Rana M. Aldossari, Aarif Ali, Muneeb U. Rehman, Summya Rashid & Sheikh Bilal Ahmad. (2023) Computational Approaches for Identification of Potential Plant Bioactives as Novel G6PD Inhibitors Using Advanced Tools and Databases. Molecules 28:7, pages 3018.
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