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Maryam Sadat Moezzi. (2023) Comprehensive in silico screening of flavonoids against SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 41:19, pages 9448-9461.
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Ahmed A. Al-Karmalawy, Radwan Alnajjar, Ayman Abo Elmaaty, Faizah A. Binjubair, Sara T. Al-Rashood, Basma S. Mansour, Ahmed Elkamhawy, Wagdy M. Eldehna & Khaled Ahmed Mansour. (2023) Investigating the promising SARS-CoV-2 main protease inhibitory activity of secoiridoids isolated from Jasminum humile; in silico and in virto assessments with structure-activity relationship. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Shovonlal Bhowmick, Tapan Kumar Mistri, Mohammad Rizwan Khan, Pritee Chunarkar Patil, Rosa Busquets, Abu Md Ashif Ikbal, Ankita Choudhury, Dilip Kumar Roy, Partha Palit & Achintya Saha. (2023) Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by in-silico simulation study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Afnan Hassan & Reem K. Arafa. (2022) On the search for COVID-19 therapeutics: identification of potential SARS-CoV-2 main protease inhibitors by virtual screening, pharmacophore modeling and molecular dynamics. Journal of Biomolecular Structure and Dynamics 40:17, pages 7815-7828.
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Avinash Mishra & Anurag S. Rathore. (2022) RNA dependent RNA polymerase (RdRp) as a drug target for SARS-CoV2. Journal of Biomolecular Structure and Dynamics 40:13, pages 6039-6051.
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Joyce S. F. D. Almeida, Fernanda D. Botelho, Felipe R. de Souza, Marcelo C. dos Santos, Arlan da Silva Goncalves, Rodrigo L. B. Rodrigues, Monique Cardozo, Daniel A. S. Kitagawa, Leandro A. Vieira, Raphael S. F. Silva, Samir F. A. Cavalcante, Leonardo da C. Bastos, Mariana de O. T. Nogueira, Priscila I. R. de Santana, Juliana de O. C. Brum, Eugenie Nepovimova, Kamil Kuca, Steven R. LaPlante, Erick B. F. Galante & Tanos C. C. Franca. (2022) Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targets. Journal of Biomolecular Structure and Dynamics 40:11, pages 5229-5242.
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Articles from other publishers (26)
Giovanna Baron, Sofia Borella, Larissa della Vedova, Serena Vittorio, Giulio Vistoli, Marina Carini, Giancarlo Aldini & Alessandra Altomare. (2023) An integrated metabolomic and proteomic approach for the identification of covalent inhibitors of the main protease (Mpro) of SARS-COV-2 from crude natural extracts. Talanta 252, pages 123824.
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Umar Ndagi, Maryam Abdullahi, Asmau N. Hamza, Mohd G. Magaji, Ndumiso N. Mhlongo, Makun Babazhitsu, Hussaini Majiya, Hussaini Anthony Makun & Monsurat M. Lawal. (2023) Impact of Drug Repurposing on SARS-Cov-2 Main Protease. Russian Journal of Physical Chemistry A 96:14, pages 3311-3330.
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Eslam B. Elkaeed, Mohamed M. Khalifa, Bshra A. Alsfouk, Aisha A. Alsfouk, Abdul-Aziz M. M. El-Attar, Ibrahim H. Eissa & Ahmed M. Metwaly. (2022) The Discovery of Potential SARS-CoV-2 Natural Inhibitors among 4924 African Metabolites Targeting the Papain-like Protease: A Multi-Phase In Silico Approach. Metabolites 12:11, pages 1122.
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JiaYi Zhu, Yuchong Li, Jady Liang, Samira Mubareka, Arthur S. Slutsky & Haibo Zhang. (2022) The Potential Protective Role of GS-441524, a Metabolite of the Prodrug Remdesivir, in Vaccine Breakthrough SARS-CoV-2 Infections. Intensive Care Research 2:3-4, pages 49-60.
Crossref
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Ropo E. Ogunsakin, Oluwakemi Ebenezer, Maryam A. Jordaan, Michael Shapi & Themba G. Ginindza. (2022) Mapping Scientific Productivity Trends and Hotspots in Remdesivir Research Publications: A Bibliometric Study from 2016 to 2021. International Journal of Environmental Research and Public Health 19:14, pages 8845.
Crossref
Crossref
Shabana Bibi, Muhammad Saad Khan, Sherif A. El-Kafrawy, Thamir A. Alandijany, Mai M. El-Daly, Qudsia Yousafi, Dua Fatima, Arwa A. Faizo, Leena H. Bajrai & Esam I. Azhar. (2022) Virtual screening and molecular dynamics simulation analysis of Forsythoside A as a plant-derived inhibitor of SARS-CoV-2 3CLpro. Saudi Pharmaceutical Journal 30:7, pages 979-1002.
Crossref
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Hassan Hashemzadeh, Milad Iranshahy, Mehrdad Iranshahi & Heidar Raissi. (2022) In silico exploration of disulfide derivatives of Ferula foetida oleo-gum (Covexir®) as promising therapeutics against SARS-CoV-2. Computers in Biology and Medicine 146, pages 105566.
Crossref
Crossref
María I. Zapata-Cardona, Lizdany Flórez-Álvarez, Wildeman Zapata-Builes, Ariadna L. Guerra-Sandoval, Carlos M. Guerra-Almonacid, Jaime Hincapié-García, María T. Rugeles & Juan C. Hernandez. (2022) Atorvastatin Effectively Inhibits Ancestral and Two Emerging Variants of SARS-CoV-2 in vitro. Frontiers in Microbiology 13.
Crossref
Crossref
Suwicha Patnin, Arthit Makarasen, Pongsit Vijitphan, Apisara Baicharoen, Apinya Chaivisuthangkura, Mayuso Kuno & Supanna Techasakul. (2022) Computational Screening of Phenylamino-Phenoxy-Quinoline Derivatives against the Main Protease of SARS-CoV-2 Using Molecular Docking and the ONIOM Method. Molecules 27:6, pages 1793.
Crossref
Crossref
Ismail Celik, Meryem Erol & Zekeriya Duzgun. (2021) In silico evaluation of potential inhibitory activity of remdesivir, favipiravir, ribavirin and galidesivir active forms on SARS-CoV-2 RNA polymerase. Molecular Diversity 26:1, pages 279-292.
Crossref
Crossref
Ramakrishna Ungarala, Manne Munikumar, Sukesh Narayan Sinha, Dileshwar Kumar, R. Shyam Sunder & Suresh Challa. (2022) Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach. Antioxidants 11:2, pages 294.
Crossref
Crossref
Jiawen Wang, Yi Yu, Tianle Leng, Youyong Li & Shuit-Tong Lee. (2021)
The Inhibition of SARS-CoV-2 3CL M
pro
by Graphene and Its Derivatives from Molecular Dynamics Simulations
. ACS Applied Materials & Interfaces 14:1, pages 191-200.
Crossref
Crossref
Jangampalli Adi Pradeepkiran, Manne Munikumar, Arubala P Reddy & P Hemachandra Reddy. (2022) Protective effects of a small molecule inhibitor ligand against hyperphosphorylated tau-induced mitochondrial and synaptic toxicities in Alzheimer disease. Human Molecular Genetics 31:2, pages 244-261.
Crossref
Crossref
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.
Crossref
Crossref
Abd. Kakhar Umar. (2021) Flavonoid compounds of buah merah (Pandanus conoideus Lamk) as a potent SARS-CoV-2 main protease inhibitor: in silico approach. Future Journal of Pharmaceutical Sciences 7:1.
Crossref
Crossref
Reham F. Barghash, Iten M. Fawzy, Vaisali Chandrasekar, Ajay Vikram Singh, Uma Katha & Asmaa A. Mandour. (2021) In Silico Modeling as a Perspective in Developing Potential Vaccine Candidates and Therapeutics for COVID-19. Coatings 11:11, pages 1273.
Crossref
Crossref
Majid Hassanzadeganroudsari, Amir Hossein Ahmadi, Niloufar Rashidi, Md Kamal Hossain, Amanda Habib & Vasso Apostolopoulos. (2021) Computational Chemistry to Repurposing Drugs for the Control of COVID-19. Biologics 1:2, pages 111-128.
Crossref
Crossref
Faez Iqbal Khan, Tongzhou Kang, Haider Ali & Dakun Lai. (2021) Remdesivir Strongly Binds to RNA-Dependent RNA Polymerase, Membrane Protein, and Main Protease of SARS-CoV-2: Indication From Molecular Modeling and Simulations. Frontiers in Pharmacology 12.
Crossref
Crossref
K.Abraham Peele, Vikas Kumar, Shraddha Parate, Krupanidhi Srirama, Keun Woo Lee & T.C. Venkateswarulu. (2021) Insilico drug repurposing using FDA approved drugs against Membrane protein of SARS-CoV-2. Journal of Pharmaceutical Sciences 110:6, pages 2346-2354.
Crossref
Crossref
Kaxi Yu, Shuai Chen, Chander Amgoth, Guping Tang, Hongzhen Bai & Xiurong Hu. (2021) Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study. CrystEngComm 23:16, pages 2923-2927.
Crossref
Crossref
Selami Ercan & Ercan Çınar. (2021) A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme. Journal of the Indian Chemical Society 98:3, pages 100041.
Crossref
Crossref
Munikumar Manne, Giridhar Goudar, Seshadri Reddy Varikasuvu, Mahadev C. Khetagoudar, Hema Kanipakam, Pradeep Natarajan, Muni Divya Ummiti, Vijay Aravind Yenagi, Sridhar Chinthakindi, Prakash Dharani, Durga Sai Sri Thota, Sameer Patil & Vijaylaxmi Patil. (2021) Cordifolioside: potent inhibitor against Mpro of SARS-CoV-2 and immunomodulatory through human TGF-β and TNF-α. 3 Biotech 11:3.
Crossref
Crossref
Shailima Rampogu & Keun Woo Lee. (2021)
Old Drugs for New Purpose—Fast Pace Therapeutic Identification for
SARS‐CoV
‐2 Infections by Pharmacophore Guided Drug Repositioning Approach
. Bulletin of the Korean Chemical Society 42:2, pages 212-226.
Crossref
Crossref
Elham Aghaee, Marzieh Ghodrati & Jahan B. Ghasemi. (2021) In silico exploration of novel protease inhibitors against coronavirus 2019 (COVID-19). Informatics in Medicine Unlocked 23, pages 100516.
Crossref
Crossref
Hoang Linh Nguyen, Nguyen Quoc Thai, Duc Toan Truong & Mai Suan Li. (2020) Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations. The Journal of Physical Chemistry B 124:50, pages 11337-11348.
Crossref
Crossref
Bruno Silva Andrade, Preetam Ghosh, Debmalya Barh, Sandeep Tiwari, Raner José Santana Silva, Wagner Rodrigues de Assis Soares, Tarcisio Silva Melo, Andria Santos Freitas, Patrícia González-Grande, Lucas Sousa Palmeira, Luiz Carlos Junior Alcantara, Marta Giovanetti, Aristóteles Góes-Neto & Vasco Ariston de Carvalho Azevedo. (2020) Computational screening for potential drug candidates against the SARS-CoV-2 main protease. F1000Research 9, pages 514.
Crossref
Crossref