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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 11
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Research Articles

Revealing the cholinergic inhibition mechanism of Alzheimer’s by galantamine: a metadynamics simulation study

Shibaji Ghosha Computation and Simulation Unit (Analytical and Environmental Science Division and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India;b Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India
,
Kalyanashis Janaa Computation and Simulation Unit (Analytical and Environmental Science Division and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India;b Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India
,
Padmaja D. Wakchaurea Computation and Simulation Unit (Analytical and Environmental Science Division and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India;b Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India
&
Bishwajit Gangulya Computation and Simulation Unit (Analytical and Environmental Science Division and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India;b Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, IndiaCorrespondence[email protected] [email protected]
Pages 5100-5111 | Received 30 Oct 2020, Accepted 17 Dec 2020, Published online: 31 Dec 2020

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İrfan Şahin, Mustafa Çeşme, Özge Güngör, Fatma Betül Özgeriş, Muhammet Köse & Ferhan Tümer. (2023) New sulfonamide derivatives based on 1,2,3-triazoles: synthesis, in vitro biological activities and in silico studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Jibin K. Varughese, K. L. Joseph Libin, K. S. Sindhu, A. V. Rosily & T. G. Abi. (2022) Investigation of the inhibitory activity of some dietary bioactive flavonoids against SARS-CoV-2 using molecular dynamics simulations and MM-PBSA calculations. Journal of Biomolecular Structure and Dynamics 40:15, pages 6755-6770.
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Rajesh Ghosh, Ayon Chakraborty, Ashis Biswas & Snehasis Chowdhuri. (2022) Depicting the inhibitory potential of polyphenols from Isatis indigotica root against the main protease of SARS CoV-2 using computational approaches. Journal of Biomolecular Structure and Dynamics 40:9, pages 4110-4121.
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Farwa Batool, Ehsan Ullah Mughal, Komal Zia, Amina Sadiq, Nafeesa Naeem, Asif Javid, Zaheer Ul-Haq & Muhammad Saeed. (2022) Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 40:8, pages 3777-3788.
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Rajesh Ghosh, Ayon Chakraborty, Ashis Biswas & Snehasis Chowdhuri. (2022) Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids of Torreya nucifera leaves. Journal of Biomolecular Structure and Dynamics 40:6, pages 2647-2662.
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Rajesh Ghosh, Ayon Chakraborty, Ashis Biswas & Snehasis Chowdhuri. (2022) Potential therapeutic use of corticosteroids as SARS CoV-2 main protease inhibitors: a computational study. Journal of Biomolecular Structure and Dynamics 40:5, pages 2053-2066.
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Articles from other publishers (4)

Yuyuan Zhu, Wei Xiang, Yao Shen, Yanan Jia, Yuansong Zhang, Lingshu Zeng, Jiaxin Chen, You Zhou, Xin Xue, Xianzhi Huang & Li Xu. (2022) New butyrylcholinesterase inhibitor derived from mulberry twigs, a kind of agricultural byproducts. Industrial Crops and Products 187, pages 115535.
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Ying Song, Xin-Yi Zhu, Xiao-Min Zhang & He Xiong. (2022) Targeted Mitochondrial Epigenetics: A New Direction in Alzheimer’s Disease Treatment. International Journal of Molecular Sciences 23:17, pages 9703.
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Vishal Kumar Singh, Himani Chaurasia, Richa Mishra, Ritika Srivastava, Aditya K. Yadav, Jayati Dwivedi, Prashant Singh & Ramendra K. Singh. (2022) COVID-19: Pathophysiology, Transmission, and Drug Development for Therapeutic Treatment and Vaccination Strategies. Current Pharmaceutical Design 28:27, pages 2211-2233.
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Harrison J. Cox, Gary J. SharplesJas Pal S. Badyal. (2021) Tea–Essential Oil–Metal Hybrid Nanocoatings for Bacterial and Viral Inactivation. ACS Applied Nano Materials 4:11, pages 12619-12628.
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