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Citations (66)
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Dikdik Kurnia, Salsabila Aqila Putri, Sefren Geiner Tumilaar, Achmad Zainuddin, Hendra Dian Adhita Dharsono & Meiny Faudah Amin. (2023) In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis. Advances and Applications in Bioinformatics and Chemistry 16, pages 37-47.
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Disha Tewari, Kalpana Rawat, Amisha Bisht, Mohammad Ali Abdullah Almoyad, Shadma Wahab, Subhash Chandra & Veena Pande. (2023) Screening of potential inhibitors of Leishmania major N-myristoyltransferase from Azadirachta indica phytochemicals for leishmaniasis drug discovery by molecular docking, molecular dynamics simulation and density functional theory methods. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Manish Kumar Tripathi, Pushpendra Singh, Mukesh Kumar, Kuldeep Sharma, T. P. Singh, A. S. Ethayathulla & Punit Kaur. (2023) Identification of a promising inhibitor from Illicium verum (star anise) against the main protease of SARS-CoV-2: insights from the computational study. Journal of Biomolecular Structure and Dynamics 41:14, pages 6866-6882.
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Rutwick Surya Ulhas & Alok Malaviya. (2023) In-silico validation of novel therapeutic activities of withaferin a using molecular docking and dynamics studies. Journal of Biomolecular Structure and Dynamics 41:11, pages 5045-5056.
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Sharma Pooja Tarachand, Gopishankar Thirumoorthy, Vasantha Veerappa Lakshmaiah & Praveen Nagella. (2023) In silico molecular docking study of Andrographis paniculata phytochemicals against TNF-α as a potent anti-rheumatoid drug. Journal of Biomolecular Structure and Dynamics 41:7, pages 2687-2697.
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Amit Kumar Srivastav, Jyoti Jaiswal & Umesh Kumar. (2023) In silico bioprospecting of antiviral compounds from marine fungi and mushroom for rapid development of nutraceuticals against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 41:5, pages 1574-1585.
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Ebrahim Banitalebi, Tooba Abdizadeh, Maryam Khademi Dehkordi, Elham Saghaei & Majid Mardaniyan Ghahfarrokhi. (2023) In silico study of potential immunonutrient-based sports supplements against COVID-19 via targeting ACE2 inhibition using molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 41:3, pages 1041-1061.
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Ashish Malik, Mayank Kohli, Neethu Anju Jacob, Abhijit Kayal, T. Kiran Raj, Naveen Kulkarni & Vivek Chandramohan. (2023) In silico screening of phytochemical compounds and FDA drugs as potential inhibitors for NSP16/10 5' methyl transferase activity. Journal of Biomolecular Structure and Dynamics 41:1, pages 221-233.
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Chukwuebuka Egbuna, Kingsley C. Patrick-Iwuanyanwu, Eugene N. Onyeike, Johra Khan & Bader Alshehri. (2022) FMS-like tyrosine kinase-3 (FLT3) inhibitors with better binding affinity and ADMET properties than sorafenib and gilteritinib against acute myeloid leukemia: in silico studies. Journal of Biomolecular Structure and Dynamics 40:22, pages 12248-12259.
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Anchal Trivedi, Rumana Ahmad, Sahabjada Siddiqui, Aparna Misra, Mohsin Ali Khan, Aditi Srivastava, Tanveer Ahamad, Mohd. Faheem Khan, Zeba Siddiqi, Gazala Afrin, Anamika Gupta, Shivbrat Upadhyay, Ishrat Husain, Bilal Ahmad, Sudhir Mehrotra & Surya Kant. (2022) Prophylactic and therapeutic potential of selected immunomodulatory agents from Ayurveda against coronaviruses amidst the current formidable scenario: an in silico analysis. Journal of Biomolecular Structure and Dynamics 40:20, pages 9648-9700.
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Birendra Kumar, P. Parasuraman, Thirupathihalli Pandurangappa Krishna Murthy, Manikanta Murahari & Vivek Chandramohan. (2022) In silico screening of therapeutic potentials from Strychnos nux-vomica against the dimeric main protease (Mpro) structure of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:17, pages 7796-7814.
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Chavan Sakshi, A. Harikrishnan, Selvakumar Jayaraman, Ahana Roy Choudhury & V. Veena. (2022) Predictive medicinal metabolites from Momordica dioica against comorbidity related proteins of SARS-CoV-2 infections. Journal of Biomolecular Structure and Dynamics 40:11, pages 5175-5188.
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Mala Rajendran, Sudeep Roy, Keerthana Ravichandran, Bagdevi Mishra, Deepak K. Gupta, Subash Nagarajan, Ruby Celsia Arul Selvaraj & Ivo Provaznik. (2022) In silico screening and molecular dynamics of phytochemicals from Indian cuisine against SARS-CoV-2 MPro. Journal of Biomolecular Structure and Dynamics 40:7, pages 3155-3169.
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Ghazaleh Jamalipour Soufi & Siavash Iravani. (2021) Potential inhibitors of SARS-CoV-2: recent advances. Journal of Drug Targeting 29:4, pages 349-364.
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D. S. N. B. K. Prasanth, Manikanta Murahari, Vivek Chandramohan, Gangadharappa Bhavya, Atmakuri Lakshmana Rao, Siva Prasad Panda, G. S. N. Koteswara Rao, Guntupalli Chakravarthi, Nayudu Teja, Peddireddy Suguna Rani, Gummadi Ashu, Chittiprolu Purnadurganjali, Puvvala Akhil, Gorriputti Vedita Bhavani & Tirumalasetti Jaswitha. (2021) In-silico strategies of some selected phytoconstituents from Melissa officinalis as SARS CoV-2 main protease and spike protein (COVID-19) inhibitors. Molecular Simulation 47:6, pages 457-470.
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Harsh Kumar, Rajni Dhalaria, Shivani Guleria, Ruchi Sharma, Richard Cimler, Daljeet Singh Dhanjal, Chirag Chopra, Vijay Kumar, Sivakumar Manickam, Shahida Anusha Siddiqui, Talwinder Kaur, Narinder Verma, Ashok Kumar Pathera & Kamil Kuča. Advances in the concept of functional foods and feeds: applications of cinnamon and turmeric as functional enrichment ingredients. Critical Reviews in Food Science and Nutrition 0:0, pages 1-19.
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Articles from other publishers (50)
Susankar Kushari, Iswar Hazarika, Damiki Laloo, Suman Kumar, Jun Moni Kalita & Himangshu Sarma. (2022) An integrated computational approach towards the screening of active plant metabolites as potential inhibitors of SARS-CoV-2: an overview. Structural Chemistry 34:3, pages 1073-1104.
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Mona A. Mohammed. (2023) Fighting cytokine storm and immunomodulatory deficiency: By using natural products therapy up to now. Frontiers in Pharmacology 14.
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Zhuohong Xie, Yanfang Li, Zhihao Liu, Melody Zeng, Jeffrey C. Moore, Boyan Gao, Xianli Wu, Jianghao Sun, Thomas T. Y. Wang, Pamela Pehrsson, Xiaohua He & Liangli Lucy Yu. (2023)
Bioactive Compositions of Cinnamon (
Cinnamomum verum
J. Presl) Extracts and Their Capacities in Suppressing SARS-CoV-2 Spike Protein Binding to ACE2, Inhibiting ACE2, and Scavenging Free Radicals
. Journal of Agricultural and Food Chemistry 71:12, pages 4890-4900.
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R.P. Vivek-Ananth, Karthikeyan Mohanraj, Ajaya Kumar Sahoo & Areejit Samal. (2023) IMPPAT 2.0: An Enhanced and Expanded Phytochemical Atlas of Indian Medicinal Plants. ACS Omega 8:9, pages 8827-8845.
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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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D. S. N. B. K. Prasanth, Gagandeep Singh, Siva Prasad Panda, Suneetha Achanti, Hemant Soni, Tapan K. Chaudhuri, Harshal Ashok Pawar & Md Jahasultana. (2022) In Silico Screening of Plant-Derived Anti-virals from Shorea hemsleyana (King) King ex Foxw Against SARS CoV-2 Main Protease. Chemistry Africa 6:1, pages 345-366.
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Naveen Dhingra, Ravindra Bhardwaj, Uma Bhardwaj & Kapish Kapoor. (2023) Design of hACE2-based small peptide inhibitors against spike protein of SARS-CoV-2: a computational approach. Structural Chemistry.
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Leila Ouni & Ali Ramazani. (2023) In Silico Screening of Some Anti-Cancer Drugs Against the Main Protease
of COVID-19 Using Molecular Docking. Letters in Organic Chemistry 20:1, pages 77-90.
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Nahid Shahabadi, Saba Zendehcheshm, Mohammad Mahdavi & Fatemeh Khademi. (2023) Repurposing FDA-approved drugs cetilistat, abiraterone, diiodohydroxyquinoline, bexarotene, and remdesivir as potential inhibitors against RNA dependent RNA polymerase of SARS-CoV-2: A comparative in silico perspective. Informatics in Medicine Unlocked 36, pages 101147.
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Shin Takayama, Takao Namiki, Ryutaro Arita, Rie Ono, Akiko Kikuchi, Minoru Ohsawa, Natsumi Saito, Satoko Suzuki, Hajime Nakae, Seiichi Kobayashi, Tetsuhiro Yoshino, Tomoaki Ishigami, Koichiro Tanaka, Kotaro Nochioka, Airi Takagi, Masaru Mimura, Takuhiro Yamaguchi, Tadashi Ishii, Akito Hisanaga, Kazuo Mitani & Takashi Ito. (2022) Multicenter, randomized controlled trial of traditional Japanese medicine, kakkonto with shosaikotokakikyosekko, for mild and moderate coronavirus disease patients. Frontiers in Pharmacology 13.
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Gurpreet Singh. (2022) In silico Prediction and Pharmacokinetic Studies on Glucosinolates as a
Potential Drug and Key Inhibitor Molecule for Lanosterol-14α-
demethylase: A Fungal Membrane Biosynthesis Enzyme. Current Drug Discovery Technologies 19:6.
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Swati Krishna, T.P. Krishna Murthy, G. Divyashri, Manikanta Murahari, Rohit Shukla, S. Birendra Kumar & Tiratha Raj Singh. (2022) Pharmacoinformatics based screening of combined synthetic and natural compounds to identify novel and in silico potential Bcl-2 inhibitors. Journal of Molecular Liquids 366, pages 120250.
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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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Ishrat Husain, Rumana Ahmad, Sahabjada Siddiqui, Anu Chandra, Aparna Misra, Aditi Srivastava, Tanveer Ahamad, Mohd. Faheem Khan, Zeba Siddiqi, Anchal Trivedi, Shivbrat Upadhyay, Anamika Gupta, Anand N. Srivastava, Bilal Ahmad, Sudhir Mehrotra, Surya Kant, Abbas Ali Mahdi & Farzana Mahdi. (2022)
Structural interactions of phytoconstituent(s) from cinnamon, bay leaf, oregano, and parsley with
SARS‐CoV
‐2 nucleocapsid protein: A comparative assessment for development of potential antiviral nutraceuticals
. Journal of Food Biochemistry 46:10.
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Wanchanok Nantacharoen, Seung Joon Baek, Waluga Plaingam, Somsri Charoenkiatkul, Tewin Tencomnao & Monruedee Sukprasansap. (2022) Cleistocalyx nervosum var. paniala Berry Promotes Antioxidant Response and Suppresses Glutamate-Induced Cell Death via SIRT1/Nrf2 Survival Pathway in Hippocampal HT22 Neuronal Cells. Molecules 27:18, pages 5813.
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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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Jamelah S. Al-Otaibi, Y. Sheena Mary & Y. Shyma Mary. (2022) Spectroscopic analyses on an azatricycloderivative by DFT with different solvents, reactivity analysis and MD simulations. Journal of Molecular Structure 1260, pages 132845.
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Afraa Aqeel Zackria, Ramya Pattabiraman, T. P. Krishna Murthy, S. Birendra Kumar, Blessy Baby Mathew & Vinai George Biju. (2021) Computational screening of natural compounds from Salvia plebeia R. Br. for inhibition of SARS-CoV-2 main protease. Vegetos 35:2, pages 345-359.
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Cheryl Sachdeva & Naveen Kumar Kaushik. 2022. Natural Medicinal Plants. Natural Medicinal Plants.
Deepak A. Yaraguppi, Zabin K. Bagewadi, Sanjay H. Deshpande & Vivek Chandramohan. (2022) In Silico Study on the Inhibition of UDP-N-Acetylglucosamine 1-Carboxy Vinyl Transferase from Salmonella typhimurium by the Lipopeptide Produced from Bacillus aryabhattai. International Journal of Peptide Research and Therapeutics 28:3.
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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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Sandra Jose, Megha Gupta, Urvashi Sharma, Jorge Quintero-Saumeth & Manish Dwivedi. (2022) Potential of phytocompounds from Brassica oleracea targeting S2-domain of SARS-CoV-2 spike glycoproteins: Structural and molecular insights. Journal of Molecular Structure 1254, pages 132369.
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Lennie KY Cheung & Rickey Y Yada. (2022) Predicting global diet-disease relationships at the atomic level: a COVID-19 case study. Current Opinion in Food Science 44, pages 100804.
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Rahman Abdizadeh, Farzin Hadizadeh & Tooba Abdizadeh. (2021) In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2. Molecular Diversity 26:2, pages 1053-1076.
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Ibrahim S. Uras, Michal KorinekAmgad AlbohyBasma S. AbdulrazikWenhan Lin, Sherif S. Ebada & Belma Konuklugil. (2022)
Anti‐Inflammatory, Antiallergic and COVID‐19 Main Protease (M
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Nithya Sevuga Rathinam, Madhana Priya Nanda Kumar, Charles Emmanuel Jebaraj Walter & Magesh Ramasamy. (2022) Analyzing the effect of deleterious non-synonymous SNPs causing CHARGE syndrome associated with the CHD7 protein using computational approaches. Journal of Proteins and Proteomics 13:1, pages 63-77.
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Mojgan Nejabat, Razieh Ghodsi & Farzin Hadizadeh. (2022) Coumarins and Quinolones as Effective Multiple Targeted Agents Versus
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Dan-Tong Gu, Tao-Hsin Tung, Zhu Liduzi Jiesisibieke, Ching-Wen Chien & Wen-Yi Liu. (2022) Safety of Cinnamon: An Umbrella Review of Meta-Analyses and Systematic Reviews of Randomized Clinical Trials. Frontiers in Pharmacology 12.
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Anirudh Pratap Singh Raman, Kamlesh Kumari, Pallavi Jain, Vijay Kumar Vishvakarma, Ajay Kumar, Neha Kaushik, Eun Ha Choi, Nagendra Kumar Kaushik & Prashant Singh. (2022) In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19. Pharmaceutics 14:1, pages 135.
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Merve Eylul Kiymaci & Banu Kaskatepe. 2022. Promising Antimicrobials from Natural Products. Promising Antimicrobials from Natural Products
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Amit Lochab, Rakhi Thareja, Sangeeta D. Gadre & Reena Saxena. (2021) Potential Protein and Enzyme Targets for In‐silico Development and Repurposing of Drug Against Coronaviruses. ChemistrySelect 6:46, pages 13363-13381.
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Gabriela Ilona B. Janairo, Derrick Ethelbhert C. Yu & Jose Isagani B. Janairo. (2021) A machine learning regression model for the screening and design of potential SARS-CoV-2 protease inhibitors. Network Modeling Analysis in Health Informatics and Bioinformatics 10:1.
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Radina Tokin, Kristian E. H. Frandsen, Johan Ørskov Ipsen, Leila Lo Leggio, Mahesha M. Poojary, Jean‐Guy Berrin, Sacha Grisel, Søren Brander, Poul Erik Jensen & Katja Salomon Johansen. (2021) Inhibition of lytic polysaccharide monooxygenase by natural plant extracts. New Phytologist 232:3, pages 1337-1349.
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Maryam Yakhchali, Zahra Taghipour, Mehran Mirabzadeh Ardakani, Mahdi Alizadeh Vaghasloo, Mahdi Vazirian & Sima Sadrai. (2021) Cinnamon and its possible impact on COVID-19: The viewpoint of traditional and conventional medicine. Biomedicine & Pharmacotherapy 143, pages 112221.
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Topu Raihan, Muhammad Fazle Rabbee, Puja Roy, Swapnila Choudhury, Kwang-Hyun Baek & Abul Kalam Azad. (2021) Microbial Metabolites: The Emerging Hotspot of Antiviral Compounds as Potential Candidates to Avert Viral Pandemic Alike COVID-19. Frontiers in Molecular Biosciences 8.
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Partha Biswas, Dipta Dey, Atikur Rahman, Md. Aminul Islam, Tasmina Ferdous Susmi, Md. Abu Kaium, Md. Nazmul Hasan, MD. Hasanur Rahman, Shafi Mahmud, Md. Abu Saleh, Priyanka Paul, Md Rezanur Rahman, Md. Al Al Saber, Hangyeul Song, Md. Ataur Rahman & Bonglee Kim. (2021) Analysis of SYK Gene as a Prognostic Biomarker and Suggested Potential Bioactive Phytochemicals as an Alternative Therapeutic Option for Colorectal Cancer: An In-Silico Pharmaco-Informatics Investigation. Journal of Personalized Medicine 11:9, pages 888.
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Jameel R. Al-Obaidi, Khalid H. Alobaidi, Bilal Salim Al-Taie, David Hong-Sheng Wee, Hasnain Hussain, Nuzul Noorahya Jambari, E. I. Ahmad-Kamil & Nur Syamimi Ariffin. (2021) Uncovering Prospective Role and Applications of Existing and New Nutraceuticals from Bacterial, Fungal, Algal and Cyanobacterial, and Plant Sources. Sustainability 13:7, pages 3671.
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Muthu Kumaradoss Kathiravan, Srimathi Radhakrishnan, Vigneshwaran Namasivayam & Senthilkumar Palaniappan. (2021) An Overview of Spike Surface Glycoprotein in Severe Acute Respiratory Syndrome–Coronavirus. Frontiers in Molecular Biosciences 8.
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Arabinda Ghosh, Monoswi Chakraborty, Anshuman Chandra & Mohamad Parvez Alam. (2021) Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (Mpro) of SARS-CoV-2. Journal of Molecular Modeling 27:3.
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Manisha Ray, Mukund Namdev Sable, Saurav Sarkar & Vinaykumar Hallur. (2021) Essential interpretations of bioinformatics in COVID-19 pandemic. Meta Gene 27, pages 100844.
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Trina Ekawati Tallei, Sefren Geiner Tumilaar, Nurdjannah Jane Niode, Fatimawali, Billy Johnson Kepel, Rinaldi Idroes, Yunus Effendi, Shahenur Alam Sakib & Talha Bin Emran. (2020) Potential of Plant Bioactive Compounds as SARS-CoV-2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study. Scientifica 2020, pages 1-18.
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Yue Zhu & De-Yu Xie. (2020) Docking Characterization and in vitro Inhibitory Activity of Flavan-3-ols and Dimeric Proanthocyanidins Against the Main Protease Activity of SARS-Cov-2. Frontiers in Plant Science 11.
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Dwi Syah Fitra Ramadhan, Taufik Muhammad Fakih & Arfan Arfan. (2020) Activity Prediction of Bioactive Compounds Contained in Etlingera elatior Against the SARS-CoV-2 Main Protease: An In Silico Approach. Borneo Journal of Pharmacy 3:4, pages 235-242.
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Sherif S. Ebada, Nariman A. Al-Jawabri, Fadia S. Youssef, Dina H. El-Kashef, Tim-Oliver Knedel, Amgad Albohy, Michal Korinek, Tsong-Long Hwang, Bing-Hung Chen, Guan-Hua Lin, Chia-Yi Lin, Sa'ed M. Aldalaien, Ahmad M. Disi, Christoph Janiak & Peter Proksch. (2020) Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: identification, structure–activity relationships, molecular modeling and impact on its folk medicinal uses. RSC Advances 10:62, pages 38128-38141.
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Ibrahim Ahmad Muhammad, Kanikar Muangchoo, Auwal Muhammad, Ya’u Sabo Ajingi, Ibrahim Yahaya Muhammad, Ibrahim Dauda Umar & Abubakar Bakoji Muhammad. (2020) A Computational Study to Identify Potential Inhibitors of SARS-CoV-2 Main Protease (Mpro) from Eucalyptus Active Compounds. Computation 8:3, pages 79.
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Giacomo Di Matteo, Mattia Spano, Michela Grosso, Andrea Salvo, Cinzia Ingallina, Mariateresa Russo, Alberto Ritieni & Luisa Mannina. (2020) Food and COVID-19: Preventive/Co-therapeutic Strategies Explored by Current Clinical Trials and in Silico Studies. Foods 9:8, pages 1036.
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Nilanjan Adhikari, Sk. Abdul Amin & Tarun Jha. 2021. In Silico Modeling of Drugs Against Coronaviruses. In Silico Modeling of Drugs Against Coronaviruses
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