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Zachary Boswell, Jacopo Umberto Verga, James Mackle, Karen Guerrero-Vazquez, Olivier P Thomas, James Cray, Bethany J Wolf, Yeun-Mun Choo, Peter Croot, Mark T Hamann & Gary Hardiman. (2023) In-Silico Approaches for the Screening and Discovery of Broad-Spectrum Marine Natural Product Antiviral Agents Against Coronaviruses. Infection and Drug Resistance 16, pages 2321-2338.
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Tarik Corbo, Abdurahim Kalajdzic, Dzenita Omerkic, Farah Catic, Naris Pojskic & Kasim Bajrovic. (2023) Inhibitory potential of phytochemicals on five SARS-CoV-2 proteins: in silico evaluation of endemic plants of Bosnia and Herzegovina. Biotechnology & Biotechnological Equipment 37:1.
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Revathy Sahadevan, Satyam Singh, Anupama Binoy & Sushabhan Sadhukhan. (2023) Chemico-biological aspects of (−)-epigallocatechin-3-gallate (EGCG) to improve its stability, bioavailability and membrane permeability: Current status and future prospects. Critical Reviews in Food Science and Nutrition 63:30, pages 10382-10411.
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Yulian Tao, Hanyang Qu, Shengpeng Wang, Fei Yan, Cuihong Wang & Meiling Zhang. (2023) Computational assessment of herbal medicine-derived compounds as potential inhibitors of SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 41:19, pages 9602-9613.
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Adedayo Ayodeji Lanrewaju, Abimbola Motunrayo Enitan-Folami, Martin M. Nyaga, Saheed Sabiu & Feroz Mahomed Swalaha. (2023) Metabolites profiling and cheminformatics bioprospection of selected medicinal plants against the main protease and RNA-dependent RNA polymerase of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Douglas Chaves de Alcântara Pinto, Paulo Pitasse-Santos, Gabriela Alves de Souza, Rosane Nora Castro & Marco Edilson Freire de Lima. (2023) Peracetylation of polyphenols under rapid and mild reaction conditions. Natural Product Research 37:13, pages 2279-2284.
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Priyanka Purohit, Debashis Barik, Sidhartha Agasti, Madhusmita Panda & Biswa Ranjan Meher. (2023) Evaluation of the inhibitory potency of anti-dengue phytocompounds against DENV-2 NS2B-NS3 protease: virtual screening, ADMET profiling and molecular dynamics simulation investigations. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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Abdullah Khalid Omer, Sonia Khorshidi, Negar Mortazavi & Heshu Sulaiman Rahman. (2022) A Review on the Antiviral Activity of Functional Foods Against COVID-19 and Viral Respiratory Tract Infections. International Journal of General Medicine 15, pages 4817-4835.
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Shruti Pyasi, Nisha Amarnath Jonniya, Md Fulbabu Sk, Debasis Nayak & Parimal Kar. (2022) Finding potential inhibitors against RNA-dependent RNA polymerase (RdRp) of bovine ephemeral fever virus (BEFV): an in-silico study. Journal of Biomolecular Structure and Dynamics 40:20, pages 10403-10421.
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M.F. Sk & P. Kar. (2022) Finding inhibitors and deciphering inhibitor-induced conformational plasticity in the Janus kinase via multiscale simulations. SAR and QSAR in Environmental Research 33:11, pages 833-859.
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Uma Shankar, Neha Jain, Subodh Kumar Mishra, Md Fulbabu Sk, Parimal Kar & Amit Kumar. (2022) Mining of Ebola virus genome for the construction of multi-epitope vaccine to combat its infection. Journal of Biomolecular Structure and Dynamics 40:11, pages 4815-4831.
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Nisha Amarnath Jonniya, Md Fulbabu Sk & Parimal Kar. (2022) A comparative study of structural and conformational properties of WNK kinase isoforms bound to an inhibitor: insights from molecular dynamic simulations. Journal of Biomolecular Structure and Dynamics 40:3, pages 1400-1415.
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Sabrina Bimonte, Cira Antonietta Forte, Massimiliano Cuomo, Gennaro Esposito, Marco Cascella & Arturo Cuomo. (2021) An Overview on the Potential Roles of EGCG in the Treatment of COVID-19 Infection. Drug Design, Development and Therapy 15, pages 4447-4454.
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M.F. Sk, S. Haridev, R. Roy & P. Kar. (2021) Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy study. SAR and QSAR in Environmental Research 32:11, pages 941-962.
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Articles from other publishers (51)
Rajarshi Roy, Md Fulbabu Sk, Omprakash Tanwar & Parimal Kar. (2022) Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease. Molecular Diversity 27:4, pages 1587-1602.
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Revathy Sahadevan, Anupama Binoy, Sai K. Vechalapu, Pandurangan Nanjan & Sushabhan Sadhukhan. (2023) In situ global proteomics profiling of EGCG targets using a cell-permeable and Click-able bioorthogonal probe. International Journal of Biological Macromolecules 237, pages 123991.
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Pawan K. Agrawal, Chandan Agrawal & Gerald Blunden. (2023) Antiviral and Possible Prophylactic Significance of Myricetin for COVID-19. Natural Product Communications 18:4, pages 1934578X2311662.
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Nadia D. Cerda-Cejudo, José J. Buenrostro-Figueroa, Leonardo Sepúlveda-Torre, Cristian Torres-León, Mónica L. Chávez-González, Juan A. Ascacio-Valdés & Cristóbal N. Aguilar. (2023) Solid-State Fermentation for the Recovery of Phenolic Compounds from Agro-Wastes. Resources 12:3, pages 36.
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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
Receptor Binding Domains and Non-structural Proteins - A Review. Combinatorial Chemistry & High Throughput Screening 26:3, pages 459-488.
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Corbin England, Jonathan TrejoMartinez, Paula PerezSanchez, Uddhab Karki & Jianfeng Xu. (2023) Plants as Biofactories for Therapeutic Proteins and Antiviral Compounds to Combat COVID-19. Life 13:3, pages 617.
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Biswanath Dinda, Subhajit Dinda & Manikarna Dinda. (2023) Therapeutic potential of green tea catechin, (-)-epigallocatechin-3-O-gallate (EGCG) in SARS-CoV-2 infection: Major interactions with host/virus proteases. Phytomedicine Plus 3:1, pages 100402.
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Udit Chaube, Bhumika D. Patel & Hardik G. Bhatt. (2022) A hypothesis on designing strategy of effective RdRp inhibitors for the treatment of SARS-CoV-2. 3 Biotech 13:1.
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Dylan Brunt, Phillip M. Lakernick & Chun Wu. (2022) Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations. Scientific Reports 12:1.
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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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Xiaoying Xu, Yuheng Chen, Xinyu Lu, Wanlin Zhang, Wenxiu Fang, Luping Yuan & Xiaoyan Wang. (2022) An update on inhibitors targeting RNA-dependent RNA polymerase for COVID-19 treatment: Promises and challenges. Biochemical Pharmacology 205, pages 115279.
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Onur Bulut & M. Deniz Yilmaz. (2022) Quercetagetin-Stabilized Silver Nanoparticles for the Oxidation of Morin. ACS Applied Nano Materials 5:10, pages 13761-13767.
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Tooba Abdizadeh. (2022) Efficacy Evaluation of Quercetin and Its Analogues on the Main Protease Enzyme of the COVID-19 Using Molecular Docking Studies. journal of ilam university of medical sciences 30:4, pages 66-85.
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Fatemeh Sana Askari, Mohsen Ebrahimi, Jabbar Parhiz, Mina Hassanpour, Alireza Mohebbi & Abbas Mirshafiey. (2022) Digging for the discovery of SARS-CoV-2 nsp12 inhibitors: a pharmacophore-based and molecular dynamics simulation study. Future Virology 17:10, pages 743-759.
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Arulraj Ramalingam, Murugavel Kuppusamy, Sivakumar Sambandam, Mouna Medimagh, Oluwatoba Emmanuel Oyeneyin, Amirthaganesan Shanmugasundaram, Noureddine Issaoui & Nathanael Damilare Ojo. (2022) Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate. Heliyon 8:10, pages e10831.
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Motonori Tsuji. (2022) Virtual Screening and Quantum Chemistry Analysis for SARS-CoV-2 RNA-Dependent RNA Polymerase Using the ChEMBL Database: Reproduction of the Remdesivir-RTP and Favipiravir-RTP Binding Modes Obtained from Cryo-EM Experiments with High Binding Affinity. International Journal of Molecular Sciences 23:19, pages 11009.
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Mohsen Mohammadi, Yousef Yahyapour, Sina Nasrollahian, Mohammad Hossein Tayefeh-Arbab, Mostafa Javanian, Mohammad Rajabi Fadardi, Seyedeh Nasim Mousavi Kani, Parisa Honarvar Bakeshloo, Roshanak Saghebi, Mehdi Rajabnia, Mehrdad Halaji & Abazar Pournajaf. (2022) A Review on Herbal Secondary Metabolites Against COVID-19 Focusing on the Genetic Variants of SARS-CoV-2. Jundishapur Journal of Natural Pharmaceutical Products 17:4.
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Shweta Jakhmola, Md Fulbabu Sk, Akash Chatterjee, Khushboo Jain, Parimal Kar & Hem Chandra Jha. (2022) A plausible contributor to multiple sclerosis; presentation of antigenic myelin protein epitopes by major histocompatibility complexes. Computers in Biology and Medicine 148, pages 105856.
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Kaifu Gao, Rui Wang, Jiahui Chen, Limei Cheng, Jaclyn Frishcosy, Yuta Huzumi, Yuchi Qiu, Tom Schluckbier, Xiaoqi Wei & Guo-Wei Wei. (2022) Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2. Chemical Reviews 122:13, pages 11287-11368.
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Satyam Singh, Revathy Sahadevan, Rajarshi Roy, Mainak Biswas, Priya Ghosh, Parimal Kar, Avinash Sonawane & Sushabhan Sadhukhan. (2022)
Structure-based design and synthesis of a novel long-chain 4′′-alkyl ether derivative of EGCG as potent EGFR inhibitor:
in vitro
and
in silico
studies
. RSC Advances 12:28, pages 17821-17836.
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Elena G. Geromichalou, Dimitrios T. Trafalis, Panagiotis Dalezis, Georgios Malis, George Psomas & George D. Geromichalos. (2022) In silico study of potential antiviral activity of copper(II) complexes with non–steroidal anti–inflammatory drugs on various SARS–CoV–2 target proteins. Journal of Inorganic Biochemistry 231, pages 111805.
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Heba Ali Hassan, Ahmed R. Hassan, Eslam A.R. Mohamed, Ahmad Al-Khdhairawi, Alaa Karkashan, Roba Attar, Khaled S. Allemailem, Waleed Al Abdulmonem, Kuniyoshi Shimizu, Iman A. M. Abdel-Rahman & Ahmed E. Allam. (2022) Conducting the RBD of SARS-CoV-2 Omicron Variant with Phytoconstituents from Euphorbia dendroides to Repudiate the Binding of Spike Glycoprotein Using Computational Molecular Search and Simulation Approach. Molecules 27:9, pages 2929.
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Farak Ali, Shahnaz Alom, Anshul Shakya, Surajit K. Ghosh, Udaya P. Singh & Hans R. Bhat. (2022) Implication of in silico studies in the search for novel inhibitors against SARS‐CoV‐2. Archiv der Pharmazie 355:5.
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Neetu Agrawal & Ahsas Goyal. (2022) Potential Candidates against COVID-19 Targeting RNA-Dependent RNA
Polymerase: A Comprehensive Review. Current Pharmaceutical Biotechnology 23:3, pages 396-419.
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Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy & Parimal Kar. (2022) Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1. ACS Omega 7:7, pages 6195-6209.
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Zhi-Gang Sun, Feng-Ling Yu, Xiang-Ting Qiu, Shuang Li, Xue-Tang Li & Hai-Liang Zhu. (2022) Promising Enzymes for Inhibitors Development Against COVID-19. Mini-Reviews in Medicinal Chemistry 22:3, pages 449-456.
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Omkar Indari, Md Fulbabu Sk, Shweta Jakhmola, Nisha Amarnath Jonniya, Hem Chandra Jha & Parimal Kar. (2022) Decoding the Host–Parasite Protein Interactions Involved in Cerebral Malaria Through Glares of Molecular Dynamics Simulations. The Journal of Physical Chemistry B 126:2, pages 387-402.
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Ackova GjorgievaDarinkaDarinka, Viktorija Maksimova & Katarina Smilkov. (2022) Plant bioactive compounds affecting biomarkers and final outcome of COVID-19. Arhiv za farmaciju 72:2, pages 212-230.
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Shah Faisal, Syed Lal Badshah, Bibi Kubra, Mohamed Sharaf, Abdul-Hamid Emwas, Mariusz Jaremko & Mohnad Abdalla. (2021) Computational Study of SARS-CoV-2 RNA Dependent RNA Polymerase Allosteric Site Inhibition. Molecules 27:1, pages 223.
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Yifei Wu, David Crich, Scott D. Pegan, Lei Lou, Madelyn C. Hansen, Carson Booth, Ellison Desrochers, Lauren Nicole Mullininx, Edward B. Starling, Kuan Y. Chang & Zhong-Ru Xie. (2021) Polyphenols as Potential Inhibitors of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp). Molecules 26:24, pages 7438.
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Vikram Choudhary, Amisha Gupta, Rajesh Sharma & Hamendra Singh Parmar. (2021) Therapeutically effective covalent spike protein inhibitors in treatment of SARS-CoV-2. Journal of Proteins and Proteomics 12:4, pages 257-270.
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Katarzyna Chojnacka, Dawid Skrzypczak, Grzegorz Izydorczyk, Katarzyna Mikula, Daniel Szopa & Anna Witek-Krowiak. (2021) Antiviral Properties of Polyphenols from Plants. Foods 10:10, pages 2277.
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José David Flores-Félix, Ana C. Gonçalves, Gilberto Alves & Luís R. Silva. (2021) Consumption of Phenolic-Rich Food and Dietary Supplements as a Key Tool in SARS-CoV-19 Infection. Foods 10:9, pages 2084.
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Amber Stiller, Kendall Garrison, Karina Gurdyumov, Jacob Kenner, Farida Yasmin, Ping Yates & Bao-Hua Song. (2021) From Fighting Critters to Saving Lives: Polyphenols in Plant Defense and Human Health. International Journal of Molecular Sciences 22:16, pages 8995.
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Muhammad Fayyaz ur Rehman, Shahzaib Akhter, Aima Iram Batool, Zeliha Selamoglu, Mustafa Sevindik, Rida Eman, Muhammad Mustaqeem, Muhammad Safwan Akram, Fariha Kanwal, Changrui Lu & Mehwish Aslam. (2021) Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from the In-Silico World. Antibiotics 10:8, pages 1011.
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Monika Kowalczyk, Aleksandra Golonko, Renata Świsłocka, Monika Kalinowska, Monika Parcheta, Artur Swiergiel & Włodzimierz Lewandowski. (2021) Drug Design Strategies for the Treatment of Viral Disease. Plant Phenolic Compounds and Their Derivatives. Frontiers in Pharmacology 12.
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Ying-Qi Wang, Qing-Sheng Li, Xin-Qiang Zheng, Jian-Liang Lu & Yue-Rong Liang. (2021) Antiviral Effects of Green Tea EGCG and Its Potential Application against COVID-19. Molecules 26:13, pages 3962.
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Meltem UÇAR. (2021) The Importance of Propolis in Combating COVID-19. Journal of Apitherapy and Nature 4:1, pages 22-40.
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N. N. Besednova, B. G. Andryukov, T. S. Zaporozhets, T. A. Kuznetsova, S. P. Kryzhanovskiy, L. N. Fedyanina, I. D. Makarenkova, I. V. Galkina & M. Yu. Shchelkanov. (2021) Polyphenols Sourced from Terrestrial and Marine Plants as Coronavirus Reproduction Inhibitors. Antibiotics and Chemotherapy 66:3-4, pages 62-81.
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Seokho Hong, Sang Hwan Seo, Sun-Je Woo, Yonghoon Kwon, Manki Song & Nam-Chul Ha. (2021) Epigallocatechin Gallate Inhibits the Uridylate-Specific Endoribonuclease Nsp15 and Efficiently Neutralizes the SARS-CoV-2 Strain. Journal of Agricultural and Food Chemistry 69:21, pages 5948-5954.
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Yee Siew Choong, Theam Soon Lim, Hanyun Liu, Rubin Jiang, Zimu Cai & Yuan Ge. (2021) Potential Inhibition of COVID-19 RNA-dependent RNA Polymerase by Hepatitis C Virus Non-nucleoside Inhibitors: An In-silico Perspective. Letters in Drug Design & Discovery 18:5, pages 429-435.
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Vikas Kumar, Shraddha Parate, Sanghwa Yoon, Gihwan Lee & Keun Woo Lee. (2021) Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2. Frontiers in Microbiology 12.
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Junsoo Park, Rackhyun Park, Minsu Jang & Yea-In Park. (2021) Therapeutic Potential of EGCG, a Green Tea Polyphenol, for Treatment of Coronavirus Diseases. Life 11:3, pages 197.
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Satabdi Saha, Rajat Nandi, Poonam Vishwakarma, Amresh Prakash & Diwakar Kumar. (2021) Discovering Potential RNA Dependent RNA Polymerase Inhibitors as Prospective Drugs Against COVID-19: An in silico Approach. Frontiers in Pharmacology 12.
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Ehab Kotb Elmahallawy, Yasser Mohamed, Walied Abdo, Fatma A. El-Gohary, Shaimaa Ahmed Awad Ali & Tokuma Yanai. (2021) New Insights Into Potential Benefits of Bioactive Compounds of Bee Products on COVID-19: A Review and Assessment of Recent Research. Frontiers in Molecular Biosciences 7.
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Sajad Fakhri, Sana Piri, Mohammad Bagher Majnooni, Mohammad Hosein Farzaei & Javier Echeverría. (2021) Targeting Neurological Manifestations of Coronaviruses by Candidate Phytochemicals: A Mechanistic Approach. Frontiers in Pharmacology 11.
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Vinay Kumar & Kunal Roy. 2021. In Silico Modeling of Drugs Against Coronaviruses. In Silico Modeling of Drugs Against Coronaviruses
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Roxana Alina Milescu, Mateus Lodi Segatto, Aylon Stahl, Con Robert McElroy, Thomas James Farmer, James Hanley Clark & Vânia Gomes Zuin. (2020) Sustainable Single-Stage Solid–Liquid Extraction of Hesperidin and Rutin from Agro-Products Using Cyrene. ACS Sustainable Chemistry & Engineering 8:49, pages 18245-18257.
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Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Sayan Poddar & Parimal Kar. (2020) Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAM. Frontiers in Molecular Biosciences 7.
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Antonio Francés-Monerris, Cécilia Hognon, Tom Miclot, Cristina García-Iriepa, Isabel Iriepa, Alessio Terenzi, Stéphanie Grandemange, Giampaolo Barone, Marco Marazzi & Antonio Monari. (2020) Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches. Journal of Proteome Research 19:11, pages 4291-4315.
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Yifei Wu, Tze-chen Hsieh, Joseph M. Wu, Xiaoxiao Wang, Joshua S. Christopher, Amanda H. Pham, Justin David-Li Swaby, Lei Lou & Zhong-Ru Xie. (2020) Elucidating the Inhibitory Effect of Resveratrol and Its Structural Analogs on Selected Nucleotide-Related Enzymes. Biomolecules 10:9, pages 1223.
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