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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 11
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Research Articles

Identification of dual active sites in Caenorhabditis elegans GANA-1 protein: an ortholog of the human α-GAL a and α-NAGA enzymes

Clerance Su Yee Cheonga School of Science, Monash University Malaysia, Bandar Sunway, Selangor Darul Ehsan, MalaysiaORCID Iconhttps://orcid.org/0000-0001-5968-8936
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Shafi Ullah Khanb School of Pharmacy, Monash University Malaysia, Bandar Sunway, Selangor Darul Ehsan, Malaysia;c Department of Pharmacy, Abasyn University, Peshawar, Khyber Pakhtunkhwa, Pakistan;d Product & Process Innovation Department, Qarshi Brands (Pvt) Ltd, District Haripur, Khyber Pakhtunkhwa, PakistanORCID Iconhttps://orcid.org/0000-0001-9231-1831
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Nafees Ahmedb School of Pharmacy, Monash University Malaysia, Bandar Sunway, Selangor Darul Ehsan, Malaysia;e Tropical Medicine and Biology Multidisciplinary Platform, Monash University Malaysia, Bandar Sunway, Selangor Darul Ehsan, MalaysiaORCID Iconhttps://orcid.org/0000-0002-5164-1970
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Kumaran Narayanana School of Science, Monash University Malaysia, Bandar Sunway, Selangor Darul Ehsan, MalaysiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-3597-0202
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Pages 5261-5276 | Received 27 Jan 2022, Accepted 24 May 2022, Published online: 11 Jun 2022

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A.K.M. Moyeenul Huq, Miah Roney, Syahrul Imran, Shafi Ullah Khan, Md. Nazim Uddin, Thet Thet Htar, Atif Amin Baig, Mohiuddin Ahmed Bhuiyan, Zainul Amiruddin Zakaria, Mohd Fadhlizil Fasihi Mohd Aluwi & Saiful Nizam Tajuddin. (2023) Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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