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Zhouman He, Jia Yuan, Yuanwen Zhang, Runfeng Li, Meilan Mo, Yutao Wang & Huihui Ti. (2023) Recent advances towards natural plants as potential inhibitors of SARS-Cov-2 targets. Pharmaceutical Biology 61:1, pages 1186-1210.
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Zirui Wang, Theodore Belecciu, Joelle Eaves, Mark Reimers, Michael H. Bachmann & Daniel Woldring. (2023) Phytochemical drug discovery for COVID-19 using high-resolution computational docking and machine learning assisted binder prediction. Journal of Biomolecular Structure and Dynamics 41:14, pages 6643-6663.
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Rahman Abdizadeh, Farzin Hadizadeh & Tooba Abdizadeh. (2023) Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies. Journal of Biomolecular Structure and Dynamics 41:13, pages 5915-5945.
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Bahareh Farasati Far, Dmitry Bokov, Gunawan Widjaja, Hendrik Setia Budi, Walid Kamal Abdelbasset, Shahrzad Javanshir, Farhad Seif, Hamidreza Pazoki-Toroudi & Sanjay Kumar Dey. (2023) Metronidazole, acyclovir and tetrahydrobiopterin may be promising to treat COVID-19 patients, through interaction with interleukin-12. Journal of Biomolecular Structure and Dynamics 41:10, pages 4253-4271.
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Huayin Bao, Wei Wang, Haibo Sun & Jianzhong Chen. (2023) The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Sreus A. G. Naidu, Yamini B. Tripathi, Priya Shree, Roger A. Clemens & A. Satyanarayan Naidu. (2023) Phytonutrient Inhibitors of SARS-CoV-2/NSP5-Encoded Main Protease (Mpro) Autocleavage Enzyme Critical for COVID-19 Pathogenesis. Journal of Dietary Supplements 20:2, pages 284-311.
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Kateryna V. Miroshnychenko & Anna V. Shestopalova. (2022) Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study. Journal of Biomolecular Structure and Dynamics 40:19, pages 8672-8686.
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Huayin Bao, Weikai He & Jianzhong Chen. Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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İ. İrem Tatlı Çankaya, Hari Prasad Devkota, Gokhan Zengin & Dunja Šamec. (2023) Neuroprotective Potential of Biflavone Ginkgetin: A Review. Life 13:2, pages 562.
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Marielena Vogel Saivish, Gabriela de Lima Menezes, Vivaldo Gomes da Costa, Liliane Nebo, Gislaine Celestino Dutra da Silva, Carolina Colombelli Pacca, Rafael Elias Marques, Maurício Lacerda Nogueira & Roosevelt Alves Da Silva. (2023) Structural Insights into Plasticity and Discovery of Flavonoid Allosteric Inhibitors of Flavivirus NS2B–NS3 Protease. Biophysica 3:1, pages 71-92.
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Andrés Portilla-Martínez, Miguel Ortiz-Flores, Isabel Hidalgo, Cristian Gonzalez-Ruiz, Eduardo Meaney, Guillermo Ceballos & Nayelli Nájera. (2022) In silico evaluation of flavonoids as potential inhibitors of SARS-CoV-2 main nonstructural proteins (Nsps)—amentoflavone as a multitarget candidate. Journal of Molecular Modeling 28:12.
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Shilpi Pathak, Neetu Agrawal & Ahsas Goyal. (2022) A Comprehensive Review on In Silico-predicted Potential Phytochemicals
against SARS-CoV-2: Food for Thought for Researchers. Letters in Organic Chemistry 19:11, pages 931-957.
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Eugenio Hardy & Carlos Fernandez-Patron. (2022) Could Endogenous Glucocorticoids Influence SARS-CoV-2 Infectivity?. Cells 11:19, pages 2955.
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Serikova Ekaterina, Oliveira Evangelho Victor Gustavo, Kremenevskaya Marianna, Mattos Camila Ferreira, Novais Juliana Silva, Santana Marcos Vinicius, Rodrigues Carlos Rangel, Geraldo Reinaldo Barros & Castro Helena Carla. (2022) In silico phytochemicals analysis as inhibitors of the SARS-COV-2 main protease. International Journal of Pharmaceutical Sciences and Developmental Research 8:1, pages 038-045.
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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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Awatif A. Hendi, Promy Virk, Manal A. Awad, Mai Elobeid, Khalid M. O. Ortashi, Meznah M. Alanazi, Fatemah H. Alkallas, Maha Mohammad Almoneef & Mohammed Aly Abdou. (2022) In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts of Nigella sativa and Pimpinella anisum as Potential Inhibitors of 3CL Protease of SARS-CoV-2. Molecules 27:13, pages 4301.
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Rajesh Ghosh, Vishnu Nayak Badavath, Snehasis Chowdhuri & Anik Sen. (2022)
Identification of Alkaloids from
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Io Antonopoulou, Eleftheria Sapountzaki, Ulrika Rova & Paul Christakopoulos. (2022) Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature’s toolbox of bioactive compounds. Computational and Structural Biotechnology Journal 20, pages 1306-1344.
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Xifeng Xiong, Nan Tang, Xudong Lai, Jinli Zhang, Weilun Wen, Xiaojian Li, Aiguo Li, Yanhua Wu & Zhihe Liu. (2021) Insights Into Amentoflavone: A Natural Multifunctional Biflavonoid. Frontiers in Pharmacology 12.
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Avinash Mishra, Wajihul Hasan Khan & Anurag S. Rathore. (2021) Synergistic Effects of Natural Compounds Toward Inhibition of SARS-CoV-2 3CL Protease. Journal of Chemical Information and Modeling 61:11, pages 5708-5718.
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Hammami Majdi, Feten Zar Kalai, Walid Yeddess & Moufida Saidani. (2021) Phenolic compounds as antiviral agents: An In-Silico investigation against essential proteins of SARS-CoV-2. Natural Resources for Human Health 2:1, pages 62-78.
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Priyanka Saha, Subhankar Bose, Amit Kumar Srivastava, Anis Ahmad Chaudhary, Rajiv Lall & Sahdeo Prasad. (2021) Jeopardy of COVID-19: Rechecking the Perks of Phytotherapeutic Interventions. Molecules 26:22, pages 6783.
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