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Hylemariam Mihiretie Mengist, Zunera Khalid & Fentahun Adane. (2023) In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi. Advances and Applications in Bioinformatics and Chemistry 16, pages 1-13.
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Ananta Swargiary, Mritunjoy Kumar Roy & Shafi Mahmud. (2023) Phenolic compounds as α-glucosidase inhibitors: a docking and molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 41:9, pages 3862-3871.
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Abimbola Peter Oluyori, Bolatito Eunice Olanipekun, Oluyomi Stephen Adeyemi, Godshelp Osas Egharevba, Abayomi Emmanuel Adegboyega & Oluwole Solomon Oladeji. (2023) Molecular docking, pharmacophore modelling, MD simulation and in silico ADMET study reveals bitter cola constituents as potential inhibitors of SARS-CoV-2 main protease and RNA dependent-RNA polymerase. Journal of Biomolecular Structure and Dynamics 41:4, pages 1510-1525.
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Aristote Matondo, Washington Dendera, Bienfait Kabuyaya Isamura, Koto-te-Nyiwa Ngbolua, Hilaire VS Mambo, Mayaliwa Muzomwe & Virima Mudogo. (2022) In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies. Advances and Applications in Bioinformatics and Chemistry 15, pages 59-77.
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Jishan Khan, Shahenur Alam Sakib, Shafi Mahmud, Zidan Khan, Mohammad Nazmul Islam, Mahfuz Ahmed Sakib, Talha Bin Emran & Jesus Simal-Gandara. (2022) Identification of potential phytochemicals from Citrus Limon against main protease of SARS-CoV-2: molecular docking, molecular dynamic simulations and quantum computations . Journal of Biomolecular Structure and Dynamics 40:21, pages 10741-10752.
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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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Madhurjya Gogoi, Meghali Borkotoky, Sangeeta Borchetia, Pritom Chowdhury, Saurov Mahanta & Anoop Kumar Barooah. (2022) Black tea bioactives as inhibitors of multiple targets of SARS-CoV-2 (3CLpro, PLpro and RdRp): a virtual screening and molecular dynamic simulation study. Journal of Biomolecular Structure and Dynamics 40:15, pages 7143-7166.
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Dharmendra Kumar Maurya & Deepak Sharma. (2022) Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approach. Journal of Biomolecular Structure and Dynamics 40:9, pages 3949-3964.
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Kannan Raman, Kalirajan Rajagopal, Gomathi Swaminathan, Srikanth Jupudi, Kuldeep Dhama, Rashu Barua, Talha Bin Emran, Hamid Osman & Mayeen Uddin Khandaker. (2023) A Critical Review on the Potency of Phytoconstituents in the Management of COVID-19. Journal of Pure and Applied Microbiology.
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Shakti Chandra Vadhana Marimuthu, Jayaprabhakaran Murugesan, Ewa Babkiewicz, Piotr Maszczyk, Murugesan Sankaranarayanan, Esakkimuthu Thangamariappan, Joseph Christina Rosy, Sureshbabu Ram Kumar Pandian, Selvaraj Kunjiappan, Vanavil Balakrishnan & Krishnan Sundar. (2023) Pharmacoinformatics-Based Approach for Uncovering the Quorum-Quenching Activity of Phytocompounds against the Oral Pathogen, Streptococcus mutans. Molecules 28:14, pages 5514.
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Reetika Debroy & Sudha Ramaiah. (2023) Translational protein RpsE as an alternative target for novel nucleoside analogues to treat MDR Enterobacter cloacae ATCC 13047: network analysis and molecular dynamics study. World Journal of Microbiology and Biotechnology 39:7.
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Mark Tristan Quimque, Kin Israel Notarte, Xela Amor Adviento, Mikhail Harvey Cabunoc, Von Novi de Leon, Felippe Steven Louis delos Reyes, Eiron John Lugtu, Joe Anthony Manzano, Sofia Nicole Monton, John Emmanuel Muñoz, Katherine Denise Ong, Delfin Yñigo Pilapil, Vito Roque, Sophia Morgan Tan, Justin Allen Lim & Allan Patrick Macabeo. (2023) Polyphenolic Natural Products Active In Silico Against SARS-CoV-2 Spike
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Ibrahim Jantan, Laiba Arshad, Abdi Wira Septama, Md. Areeful Haque, Zeti‐Azura Mohamed‐Hussein & Nisha T. Govender. (2022) Antiviral effects of phytochemicals against severe acute respiratory syndrome coronavirus 2 and their mechanisms of action: A review. Phytotherapy Research 37:3, pages 1036-1056.
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Siqi Tang, Chunying Li, Zongwu Suo, Yi Xu, Kaixin Wei, Lei Zhao, Hao Huang, Xiangqian Liu, Dongxu Liu & Xiaojun Li. (2023) Neuroprotective Effects of Savinin on LPS-Induced Neuroinflammation In Vivo via Regulating MAPK/NF-κB Pathway and NLRP3 Inflammasome Activation. Molecules 28:4, pages 1575.
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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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Shoaib Shoaib, Mohammad Azam Ansari, Geetha Kandasamy, Rajalakshimi Vasudevan, Umme Hani, Waseem Chauhan, Maryam S. Alhumaidi, Khadijah A. Altammar, Sarfuddin Azmi, Wasim Ahmad, Shadma Wahab & Najmul Islam. (2023) An Attention towards the Prophylactic and Therapeutic Options of Phytochemicals for SARS-CoV-2: A Molecular Insight. Molecules 28:2, pages 795.
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Khalid Miandad, Asad Ullah, Kashif Bashir, Saifullah Khan, Syed Ainul Abideen, Bilal Shaker, Metab Alharbi, Abdulrahman Alshammari, Mahwish Ali, Abdul Haleem & Sajjad Ahmad. (2022) Virtual Screening of Artemisia annua Phytochemicals as Potential Inhibitors of SARS-CoV-2 Main Protease Enzyme. Molecules 27:22, pages 8103.
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Leena H. Bajrai, Arwa A. Faizo, Areej A. Alkhaldy, Vivek Dhar Dwivedi & Esam I. Azhar. (2022) Repositioning of anti-dengue compounds against SARS-CoV-2 as viral polyprotein processing inhibitor. PLOS ONE 17:11, pages e0277328.
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Qazi Mohammad Sajid Jamal. (2022) Antiviral Potential of Plants against COVID-19 during Outbreaks—An Update. International Journal of Molecular Sciences 23:21, pages 13564.
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Shilpi Pathak, Neetu Agrawal & Ahsas Goyal. (2022) A Comprehensive Review on In Silico-predicted Potential Phytochemicals
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Nurbella Sofiana Altu, Cahyo Budiman, Rafida Razali, Ruzaidi Azli Mohd Mokhtar & Khairul Azfar Kamaruzaman. (2022) Technical Data of In Silico Analysis of the Interaction of Dietary Flavonoid Compounds against Spike-Glycoprotein and Proteases of SARS-CoV-2. Data 7:11, pages 144.
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Shirin Khanna, Aravindhan Ganesan & Subha Kalyaanamoorthy. (2022) Exploring the Potentials of Phytochemicals for Targeting Coronavirus. The Natural Products Journal 12:6.
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Neetu Agrawal, Shilpi Pathak & Ahsas Goyal. (2022) Potential Papain-like Protease Inhibitors Against COVID-19: A Comprehensive
In Silico Based Review. Combinatorial Chemistry & High Throughput Screening 25:11, pages 1838-1858.
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Paul Andrei Negru, Denisa Claudia Miculas, Tapan Behl, Alexa Florina Bungau, Ruxandra-Cristina Marin & Simona Gabriela Bungau. (2022) Virtual screening of substances used in the treatment of SARS-CoV-2 infection and analysis of compounds with known action on structurally similar proteins from other viruses. Biomedicine & Pharmacotherapy 153, pages 113432.
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Toshihiko Hanai. (2022) Quantitative in silico analysis of SARS-CoV-2 S-RBD omicron mutant transmissibility. Talanta 240, pages 123206.
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Md. Abu Saleh, Shafi Mahmud, Sarah Albogami, Ahmed M El-Shehawi, Gobindo Kumar Paul, Shirmin Islam, Amit Kumar Dutta, Md. Salah Uddin & Shahriar Zaman. (2022) Biochemical and Molecular Dynamics Study of a Novel GH 43 α-l-Arabinofuranosidase/β-Xylosidase From Caldicellulosiruptor saccharolyticus DSM8903. Frontiers in Bioengineering and Biotechnology 10.
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Kamonpan Sanachai, Panupong Mahalapbutr, Vannajan Sanghiran Lee, Thanyada Rungrotmongkol & Supot Hannongbua. (2021)
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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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Miroslava Nedyalkova, Mahdi Vasighi, Subrahmanyam Sappati, Anmol Kumar, Sergio Madurga & Vasil Simeonov. (2021) Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach. Pharmaceuticals 14:12, pages 1328.
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Deepak Timalsina, Deepti Bhusal, Hari Prasad Devkota, Krishna Prasad Pokhrel & Khaga Raj Sharma. (2021) α-Amylase Inhibitory Activity of Catunaregam spinosa (Thunb.) Tirveng.: In Vitro and In Silico Studies. BioMed Research International 2021, pages 1-11.
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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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