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Chandran S. Abhinand, Athira A. Prabhakaran, Anand Krishnamurthy, Rajesh Raju, Thottethodi Subrahmanya Keshava Prasad, Achuthsankar S. Nair, Kallikat N. Rajasekharan, Oommen V. Oommen & Perumana R. Sudhakaran. (2023) SARS-CoV-2 variants infectivity prediction and therapeutic peptide design using computational approaches. Journal of Biomolecular Structure and Dynamics 41:20, pages 11166-11177.
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Gideon A. Gyebi, Adegbenro P. Adegunloye, Ibrahim M. Ibrahim, Oludare M. Ogunyemi, Saheed O. Afolabi & Olalekan B. Ogunro. (2022) Prevention of SARS-CoV-2 cell entry: insight from in silico interaction of drug-like alkaloids with spike glycoprotein, human ACE2, and TMPRSS2. Journal of Biomolecular Structure and Dynamics 40:5, pages 2121-2145.
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Aniket Sharma, Shubham Goyal, Arvind Kumar Yadav, Pawan Kumar & Lovely Gupta. (2022) In-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:1, pages 86-100.
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Vipul Kumar, Jaspreet Kaur Dhanjal, Priyanshu Bhargava, Ashish Kaul, Jia Wang, Huayue Zhang, Sunil C. Kaul, Renu Wadhwa & Durai Sundar. (2022) Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells. Journal of Biomolecular Structure and Dynamics 40:1, pages 1-13.
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Soumita Mukherjee, Subrata Dasgupta, Tapasendra Adhikary, Utpal Adhikari & Sujit Sankar Panja. (2021) Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study. Journal of Biomolecular Structure and Dynamics 39:18, pages 7322-7334.
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Arif Jamal Siddiqui, Sadaf Jahan, Syed Amir Ashraf, Mousa Alreshidi, Mohammad Saquib Ashraf, Mitesh Patel, Mejdi Snoussi, Ritu Singh & Mohd Adnan. (2021) Current status and strategic possibilities on potential use of combinational drug therapy against COVID-19 caused by SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:17, pages 6828-6841.
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Pradeep Sharma, Viswanathan Vijayan, Pradeep Pant, Mohita Sharma, Naval Vikram, Punit Kaur, T. P. Singh & Sujata Sharma. (2021) Identification of potential drug candidates to combat COVID-19: a structural study using the main protease (mpro) of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:17, pages 6649-6659.
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Nima Razzaghi-Asl, Ahmad Ebadi, Sara Shahabipour & Danial Gholamin. (2021) Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis. Journal of Biomolecular Structure and Dynamics 39:17, pages 6633-6648.
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Devashan Naidoo, Ayan Roy, Pallab Kar, Taurai Mutanda & Akash Anandraj. (2021) Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS-CoV-2: an in silico analysis. Journal of Biomolecular Structure and Dynamics 39:16, pages 6218-6230.
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Shruti Koulgi, Vinod Jani, Mallikarjunachari Uppuladinne, Uddhavesh Sonavane, Asheet Kumar Nath, Hemant Darbari & Rajendra Joshi. (2021) Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CLpro). Journal of Biomolecular Structure and Dynamics 39:15, pages 5735-5755.
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Abdullah G. Al-Sehemi, Mehboobali Pannipara, Rishikesh S. Parulekar, Omkar Patil, Prafulla B. Choudhari, M. S. Bhatia, P. K. Zubaidha & Yasinalli Tamboli. (2021) Potential of NO donor furoxan as SARS-CoV-2 main protease (Mpro) inhibitors: in silico analysis. Journal of Biomolecular Structure and Dynamics 39:15, pages 5804-5818.
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Santanu Sasidharan, Chandrabose Selvaraj, Sanjeev Kumar Singh, Vikash Kumar Dubey, Sachin Kumar, Arsenio M. Fialho & Prakash Saudagar. (2021) Bacterial protein azurin and derived peptides as potential anti-SARS-CoV-2 agents: insights from molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 39:15, pages 5706-5721.
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Iruthayaraj Ancy, Mugudeeswaran Sivanandam & Poomani Kumaradhas. (2021) Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study. Journal of Biomolecular Structure and Dynamics 39:15, pages 5368-5375.
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Parth Sarthi Sen Gupta, Satyaranjan Biswal, Dipankar Singha & Malay Kumar Rana. (2021) Binding insight of clinically oriented drug famotidine with the identified potential target of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:14, pages 5327-5333.
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Pallab Kar, Neeta Raj Sharma, Bhupender Singh, Arnab Sen & Ayan Roy. (2021) Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation. Journal of Biomolecular Structure and Dynamics 39:13, pages 4774-4785.
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Sk. Abdul Amin, Kalyan Ghosh, Shovanlal Gayen & Tarun Jha. (2021) Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors. Journal of Biomolecular Structure and Dynamics 39:13, pages 4764-4773.
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Selvaraj Alagu Lakshmi, Raja Mohamed Beema Shafreen, Arumugam Priya & Karutha Pandian Shunmugiah. (2021) Ethnomedicines of Indian origin for combating COVID-19 infection by hampering the viral replication: using structure-based drug discovery approach. Journal of Biomolecular Structure and Dynamics 39:13, pages 4594-4609.
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Chandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Umesh Panwar, Rajaram Abhirami, Evzen Boura & Sanjeev Kumar Singh. (2021) Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19. Journal of Biomolecular Structure and Dynamics 39:13, pages 4582-4593.
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Mark Tristan J. Quimque, Kin Israel R. Notarte, Rey Arturo T. Fernandez, Mark Andrew O. Mendoza, Rhenz Alfred D. Liman, Justin Allen K. Lim, Luis Agustin E. Pilapil, Jehiel Karsten H. Ong, Adriel M. Pastrana, Abbas Khan, Dong-Qing Wei & Allan Patrick G. Macabeo. (2021) Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms. Journal of Biomolecular Structure and Dynamics 39:12, pages 4316-4333.
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Anshuman Chandra, Vaishali Gurjar, Imteyaz Qamar & Nagendra Singh. (2021) Identification of potential inhibitors of SARS-COV-2 endoribonuclease (EndoU) from FDA approved drugs: a drug repurposing approach to find therapeutics for COVID-19. Journal of Biomolecular Structure and Dynamics 39:12, pages 4201-4211.
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Muhammad Hamza, Ashaq Ali, Suliman Khan, Saeed Ahmed, Zarlish Attique, Saad Ur Rehman, Ayesha Khan, Hussain Ali, Muhammad Rizwan, Anum Munir, Arshad Mehmood Khan, Faiza Siddique, Azhar Mehmood, Faisal Nouroz & Sajid Khan. (2021) nCOV-19 peptides mass fingerprinting identification, binding, and blocking of inhibitors flavonoids and anthraquinone of Moringa oleifera and hydroxychloroquine. Journal of Biomolecular Structure and Dynamics 39:11, pages 4089-4099.
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Vipul Kumar, Jaspreet Kaur Dhanjal, Sunil C. Kaul, Renu Wadhwa & Durai Sundar. (2021) Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity. Journal of Biomolecular Structure and Dynamics 39:11, pages 3842-3854.
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Satyajit Beura & Prabhakar Chetti. (2021) In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:10, pages 3747-3759.
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Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh & Shailendra Asthana. (2021) Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. Journal of Biomolecular Structure and Dynamics 39:10, pages 3662-3680.
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Niharika Sahu, Sonal Mishra, Minu Kesheri, Swarna Kanchan & Rajeshwar P. Sinha. (2022) Identification of Cyanobacteria-Based Natural Inhibitors Against SARS-CoV-2 Druggable Target ACE2 Using Molecular Docking Study, ADME and Toxicity Analysis. Indian Journal of Clinical Biochemistry 38:3, pages 361-373.
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Irina V. Nesterova, Margarita G. Atazhakhova, Yuri V. Teterin, Valeriya A. Matushkina, Galina A. Chudilova & Marina N. Mitropanova. (2023) The role of neutrophil extracellular traps (NETs) in the immunopathogenesis of severe COVID-19: potential immunotherapeutic strategies regulating NET formation and activity. Russian Journal of Infection and Immunity 13:1, pages 9-28.
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Marion M. Friske & Rainer Spanagel. (2023)
Chronic alcohol consumption and
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Cássia Pereira Delgado, João Batista Teixeira Rocha, Laura Orian, Marco Bortoli & Pablo Andrei Nogara. (2022) In silico studies of Mpro and PLpro from SARS-CoV-2 and a new class of cephalosporin drugs containing 1,2,4-thiadiazole. Structural Chemistry 33:6, pages 2205-2220.
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Ling Ma, Quanjie Li, Yongli Xie, jianyuan Zhao, Dongrong Yi, Saisai Guo, Fei Guo, Jing Wang, Long Yang & Shan Cen. (2022) Repurposing of HIV/HCV protease inhibitors against SARS-CoV-2 3CLpro. Antiviral Research 207, pages 105419.
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Pablo Andrei Nogara, Folorunsho Bright Omage, Gustavo Roni Bolzan, Cássia Pereira Delgado, Laura Orian & João Batista Teixeira Rocha. (2022) Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLpro: insights from computational chemistry studies. Journal of Molecular Modeling 28:11.
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Ana Maria Pereira, Ayse Kaya, Dan Alves, Niusha Ansari-Fard, Ibrahim Tolaymat, Basel Arafat & Mohammad Najlah. (2022) Preparation and Characterization of Disulfiram and Beta Cyclodextrin Inclusion Complexes for Potential Application in the Treatment of SARS-CoV-2 via Nebulization. Molecules 27:17, pages 5600.
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Mohamed Fadlalla, Mazin Ahmed, Musab Ali, Abdulrhman A. Elshiekh & Bashir A. Yousef. (2022) Molecular Docking as a Potential Approach in Repurposing Drugs Against COVID-19: a Systematic Review and Novel Pharmacophore Models. Current Pharmacology Reports 8:3, pages 212-226.
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Małgorzata Iciek, Anna Bilska-Wilkosz, Michał Kozdrowicki & Magdalena Górny. (2022) Reactive Sulfur Compounds in the Fight against COVID-19. Antioxidants 11:6, pages 1053.
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Zhoujie Zhu, Jiayi Shi, Long Li, Jinling Wang, Yufen Zhao & Huabin Ma. (2022) Therapy Targets SARS-CoV-2 Infection-Induced Cell Death. Frontiers in Immunology 13.
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Marcos Martinez-Banaclocha. (2022) Interfering with the Reactive Cysteine Proteome in COVID-19. Current Medicinal Chemistry 29:10, pages 1657-1663.
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Debanjan Mitra & Pradeep K. Das Mohapatra. 2022. Artificial Intelligence and Machine Learning Methods in COVID-19 and Related Health Diseases. Artificial Intelligence and Machine Learning Methods in COVID-19 and Related Health Diseases
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Nikita Khanna, Sandip V. Pawar & Anil Kumar. (2021) A Review on Repurposed Drugs and Vaccine Trials for Combating SARS CoV-2. Current Drug Research Reviews 13:3, pages 203-221.
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Ajaikumar B. Kunnumakkara, Varsha Rana, Dey Parama, Kishore Banik, Sosmitha Girisa, Sahu Henamayee, Krishan Kumar Thakur, Uma Dutta, Prachi Garodia, Subash C. Gupta & Bharat B. Aggarwal. (2021) COVID-19, cytokines, inflammation, and spices: How are they related?. Life Sciences 284, pages 119201.
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Nathanael Fillmore, Steven Bell, Ciyue Shen, Vinh Nguyen, Jennifer La, Maureen Dubreuil, Judith Strymish, Mary Brophy, Gautam Mehta, Hao Wu, Judy Lieberman, Nhan Do & Chris Sander. (2021) Disulfiram use is associated with lower risk of COVID-19: A retrospective cohort study. PLOS ONE 16:10, pages e0259061.
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Pablo Andrei Nogara, Folorunsho Bright Omage, Gustavo Roni Bolzan, Cássia Pereira Delgado, Michael Aschner, Laura Orian & João Batista Teixeira Rocha. (2021)
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