Debanjan Kundu, Chandrabose Selvaraj, Sanjeev Kumar Singh, Vikash Kumar Dubey. J Biomol Struct Dyn 2021
Times Cited: 80
Times Cited: 80
Times Cited
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An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study.
Sourav Das, Sharat Sarmah, Sona Lyndem, Atanu Singha Roy. J Biomol Struct Dyn 2021
Sourav Das, Sharat Sarmah, Sona Lyndem, Atanu Singha Roy. J Biomol Struct Dyn 2021
48
A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2.
Rajib Islam, Md Rimon Parves, Archi Sundar Paul, Nizam Uddin, Md Sajjadur Rahman, Abdulla Al Mamun, Md Nayeem Hossain, Md Ackas Ali, Mohammad A Halim. J Biomol Struct Dyn 2021
Rajib Islam, Md Rimon Parves, Archi Sundar Paul, Nizam Uddin, Md Sajjadur Rahman, Abdulla Al Mamun, Md Nayeem Hossain, Md Ackas Ali, Mohammad A Halim. J Biomol Struct Dyn 2021
47
Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach.
Sukanth Kumar Enmozhi, Kavitha Raja, Irudhayasamy Sebastine, Jerrine Joseph. J Biomol Struct Dyn 2021
Sukanth Kumar Enmozhi, Kavitha Raja, Irudhayasamy Sebastine, Jerrine Joseph. J Biomol Struct Dyn 2021
47
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors.
Zhenming Jin, Xiaoyu Du, Yechun Xu, Yongqiang Deng, Meiqin Liu, Yao Zhao, Bing Zhang, Xiaofeng Li, Leike Zhang, Chao Peng,[...]. Nature 2020
Zhenming Jin, Xiaoyu Du, Yechun Xu, Yongqiang Deng, Meiqin Liu, Yao Zhao, Bing Zhang, Xiaofeng Li, Leike Zhang, Chao Peng,[...]. Nature 2020
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Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19.
Nisha Muralidharan, R Sakthivel, D Velmurugan, M Michael Gromiha. J Biomol Struct Dyn 2021
Nisha Muralidharan, R Sakthivel, D Velmurugan, M Michael Gromiha. J Biomol Struct Dyn 2021
45
Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations.
I Aanouz, A Belhassan, K El-Khatabi, T Lakhlifi, M El-Ldrissi, M Bouachrine. J Biomol Struct Dyn 2021
I Aanouz, A Belhassan, K El-Khatabi, T Lakhlifi, M El-Ldrissi, M Bouachrine. J Biomol Struct Dyn 2021
45
Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease.
Rakesh S Joshi, Shounak S Jagdale, Sneha B Bansode, S Shiva Shankar, Meenakshi B Tellis, Vaibhav Kumar Pandya, Anita Chugh, Ashok P Giri, Mahesh J Kulkarni. J Biomol Struct Dyn 2021
Rakesh S Joshi, Shounak S Jagdale, Sneha B Bansode, S Shiva Shankar, Meenakshi B Tellis, Vaibhav Kumar Pandya, Anita Chugh, Ashok P Giri, Mahesh J Kulkarni. J Biomol Struct Dyn 2021
42
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes.
Ammar D Elmezayen, Anas Al-Obaidi, Alp Tegin Şahin, Kemal Yelekçi. J Biomol Struct Dyn 2021
Ammar D Elmezayen, Anas Al-Obaidi, Alp Tegin Şahin, Kemal Yelekçi. J Biomol Struct Dyn 2021
42
Stilbene-based natural compounds as promising drug candidates against COVID-19.
Hussain Mustatab Wahedi, Sajjad Ahmad, Sumra Wajid Abbasi. J Biomol Struct Dyn 2021
Hussain Mustatab Wahedi, Sajjad Ahmad, Sumra Wajid Abbasi. J Biomol Struct Dyn 2021
40
Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach.
Salman Ali Khan, Komal Zia, Sajda Ashraf, Reaz Uddin, Zaheer Ul-Haq. J Biomol Struct Dyn 2021
Salman Ali Khan, Komal Zia, Sajda Ashraf, Reaz Uddin, Zaheer Ul-Haq. J Biomol Struct Dyn 2021
38
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors.
Linlin Zhang, Daizong Lin, Xinyuanyuan Sun, Ute Curth, Christian Drosten, Lucie Sauerhering, Stephan Becker, Katharina Rox, Rolf Hilgenfeld. Science 2020
Linlin Zhang, Daizong Lin, Xinyuanyuan Sun, Ute Curth, Christian Drosten, Lucie Sauerhering, Stephan Becker, Katharina Rox, Rolf Hilgenfeld. Science 2020
36
Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment.
Subramanian Boopathi, Adolfo B Poma, Ponmalai Kolandaivel. J Biomol Struct Dyn 2021
Subramanian Boopathi, Adolfo B Poma, Ponmalai Kolandaivel. J Biomol Struct Dyn 2021
36
In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain).
Phulen Sarma, Nishant Shekhar, Manisha Prajapat, Pramod Avti, Hardeep Kaur, Subodh Kumar, Sanjay Singh, Harish Kumar, Ajay Prakash, Deba Prasad Dhibar,[...]. J Biomol Struct Dyn 2021
Phulen Sarma, Nishant Shekhar, Manisha Prajapat, Pramod Avti, Hardeep Kaur, Subodh Kumar, Sanjay Singh, Harish Kumar, Ajay Prakash, Deba Prasad Dhibar,[...]. J Biomol Struct Dyn 2021
36
Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase.
Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Ekampreet Singh, Amita Pathak, Rashmi Prabha Singh, Jayaraman Muthukumaran, Amit Kumar Singh. J Biomol Struct Dyn 2021
Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Ekampreet Singh, Amita Pathak, Rashmi Prabha Singh, Jayaraman Muthukumaran, Amit Kumar Singh. J Biomol Struct Dyn 2021
35
Peptide-like and small-molecule inhibitors against Covid-19.
Suyash Pant, Meenakshi Singh, V Ravichandiran, U S N Murty, Hemant Kumar Srivastava. J Biomol Struct Dyn 2021
Suyash Pant, Meenakshi Singh, V Ravichandiran, U S N Murty, Hemant Kumar Srivastava. J Biomol Struct Dyn 2021
35
Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants.
Gideon A Gyebi, Olalekan B Ogunro, Adegbenro P Adegunloye, Oludare M Ogunyemi, Saheed O Afolabi. J Biomol Struct Dyn 2021
Gideon A Gyebi, Olalekan B Ogunro, Adegbenro P Adegunloye, Oludare M Ogunyemi, Saheed O Afolabi. J Biomol Struct Dyn 2021
33
In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria.
Imane Abdelli, Faiçal Hassani, Sohayb Bekkel Brikci, Said Ghalem. J Biomol Struct Dyn 2021
Imane Abdelli, Faiçal Hassani, Sohayb Bekkel Brikci, Said Ghalem. J Biomol Struct Dyn 2021
33
In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel.
Manoj Kumar Gupta, Sarojamma Vemula, Ravindra Donde, Gayatri Gouda, Lambodar Behera, Ramakrishna Vadde. J Biomol Struct Dyn 2021
Manoj Kumar Gupta, Sarojamma Vemula, Ravindra Donde, Gayatri Gouda, Lambodar Behera, Ramakrishna Vadde. J Biomol Struct Dyn 2021
32
An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets.
Saurabh K Sinha, Anshul Shakya, Satyendra K Prasad, Shashikant Singh, Nilambari S Gurav, Rupali S Prasad, Shailendra S Gurav. J Biomol Struct Dyn 2021
Saurabh K Sinha, Anshul Shakya, Satyendra K Prasad, Shashikant Singh, Nilambari S Gurav, Rupali S Prasad, Shailendra S Gurav. J Biomol Struct Dyn 2021
32
A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin.
Anwarul Hasan, Bilal Ahamad Paray, Arif Hussain, Fikry Ali Qadir, Farnoosh Attar, Falah Mohammad Aziz, Majid Sharifi, Hossein Derakhshankhah, Behnam Rasti, Masoumeh Mehrabi,[...]. J Biomol Struct Dyn 2021
Anwarul Hasan, Bilal Ahamad Paray, Arif Hussain, Fikry Ali Qadir, Farnoosh Attar, Falah Mohammad Aziz, Majid Sharifi, Hossein Derakhshankhah, Behnam Rasti, Masoumeh Mehrabi,[...]. J Biomol Struct Dyn 2021
32
SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective.
Abdo A Elfiky. J Biomol Struct Dyn 2021
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Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures.
Durgesh Kumar, Kamlesh Kumari, Abhilash Jayaraj, Vinod Kumar, Ramappa Venkatesh Kumar, Sujata K Dass, Ramesh Chandra, Prashant Singh. J Biomol Struct Dyn 2021
Durgesh Kumar, Kamlesh Kumari, Abhilash Jayaraj, Vinod Kumar, Ramappa Venkatesh Kumar, Sujata K Dass, Ramesh Chandra, Prashant Singh. J Biomol Struct Dyn 2021
40
Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2.
Khattab Al-Khafaji, Dunya Al-Duhaidahawi, Tugba Taskin Tok. J Biomol Struct Dyn 2021
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30
Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors.
Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma, Vidya Rajendran, Rituraj Purohit, Sanjay Kumar. J Biomol Struct Dyn 2021
Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma, Vidya Rajendran, Rituraj Purohit, Sanjay Kumar. J Biomol Struct Dyn 2021
26
Homology modeling and in silico design of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes.
Ammar D Elmezayen, Kemal Yelekçi. J Biomol Struct Dyn 2021
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A Novel Coronavirus from Patients with Pneumonia in China, 2019.
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25
Natural products may interfere with SARS-CoV-2 attachment to the host cell.
Abdo A Elfiky. J Biomol Struct Dyn 2021
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Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods.
Canrong Wu, Yang Liu, Yueying Yang, Peng Zhang, Wu Zhong, Yali Wang, Qiqi Wang, Yang Xu, Mingxue Li, Xingzhou Li,[...]. Acta Pharm Sin B 2020
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Novel guanosine derivatives against MERS CoV polymerase: An in silico perspective.
Abdo A Elfiky, Eman B Azzam. J Biomol Struct Dyn 2021
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21
FDA-approved thiol-reacting drugs that potentially bind into the SARS-CoV-2 main protease, essential for viral replication.
Naún Lobo-Galo, Manuel Terrazas-López, Alejandro Martínez-Martínez, Ángel Gabriel Díaz-Sánchez. J Biomol Struct Dyn 2021
Naún Lobo-Galo, Manuel Terrazas-López, Alejandro Martínez-Martínez, Ángel Gabriel Díaz-Sánchez. J Biomol Struct Dyn 2021
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Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding.
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20
Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study.
Maryam Enayatkhani, Mehdi Hasaniazad, Sobhan Faezi, Hamed Gouklani, Parivash Davoodian, Nahid Ahmadi, Mohammad Ali Einakian, Afsaneh Karmostaji, Khadijeh Ahmadi. J Biomol Struct Dyn 2021
Maryam Enayatkhani, Mehdi Hasaniazad, Sobhan Faezi, Hamed Gouklani, Parivash Davoodian, Nahid Ahmadi, Mohammad Ali Einakian, Afsaneh Karmostaji, Khadijeh Ahmadi. J Biomol Struct Dyn 2021
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A new coronavirus associated with human respiratory disease in China.
Fan Wu, Su Zhao, Bin Yu, Yan-Mei Chen, Wen Wang, Zhi-Gang Song, Yi Hu, Zhao-Wu Tao, Jun-Hua Tian, Yuan-Yuan Pei,[...]. Nature 2020
Fan Wu, Su Zhao, Bin Yu, Yan-Mei Chen, Wen Wang, Zhi-Gang Song, Yi Hu, Zhao-Wu Tao, Jun-Hua Tian, Yuan-Yuan Pei,[...]. Nature 2020
17
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Garrett M Morris, Ruth Huey, William Lindstrom, Michel F Sanner, Richard K Belew, David S Goodsell, Arthur J Olson. J Comput Chem 2009
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Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach.
Saurov Mahanta, Purvita Chowdhury, Neelutpal Gogoi, Nabajyoti Goswami, Debajit Borah, Rupesh Kumar, Dipak Chetia, Probodh Borah, Alak K Buragohain, Bhaskarjyoti Gogoi. J Biomol Struct Dyn 2021
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PRODRG: a tool for high-throughput crystallography of protein-ligand complexes.
Alexander W Schüttelkopf, Daan M F van Aalten. Acta Crystallogr D Biol Crystallogr 2004
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Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs.
Kanchan Anand, John Ziebuhr, Parvesh Wadhwani, Jeroen R Mesters, Rolf Hilgenfeld. Science 2003
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Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants.
Muhammad Tahir Ul Qamar, Safar M Alqahtani, Mubarak A Alamri, Ling-Ling Chen. J Pharm Anal 2020
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Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus.
Akinwunmi O Adeoye, Babatunde Joseph Oso, Ige Francis Olaoye, Habibu Tijjani, Ahmed I Adebayo. J Biomol Struct Dyn 2021
Akinwunmi O Adeoye, Babatunde Joseph Oso, Ige Francis Olaoye, Habibu Tijjani, Ahmed I Adebayo. J Biomol Struct Dyn 2021
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Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach.
Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh, Shailendra Asthana. J Biomol Struct Dyn 2021
Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh, Shailendra Asthana. J Biomol Struct Dyn 2021
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Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study.
Muhammad Tahir Khan, Arif Ali, Qiankun Wang, Muhammad Irfan, Abbas Khan, Muhammad Tariq Zeb, Yu-Juan Zhang, Sathishkumar Chinnasamy, Dong-Qing Wei. J Biomol Struct Dyn 2021
Muhammad Tahir Khan, Arif Ali, Qiankun Wang, Muhammad Irfan, Abbas Khan, Muhammad Tariq Zeb, Yu-Juan Zhang, Sathishkumar Chinnasamy, Dong-Qing Wei. J Biomol Struct Dyn 2021
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Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study.
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Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro.
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Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL pro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates.
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Secondary metabolites from spice and herbs as potential multitarget inhibitors of SARS-CoV-2 proteins.
Saurabh Gupta, Vishal Singh, Pritish Kumar Varadwaj, Navajeet Chakravartty, A V S Krishna Mohan Katta, Sivarama Prasad Lekkala, George Thomas, Srinivasan Narasimhan, Arjula R Reddy, V B Reddy Lachagari. J Biomol Struct Dyn 2022
Saurabh Gupta, Vishal Singh, Pritish Kumar Varadwaj, Navajeet Chakravartty, A V S Krishna Mohan Katta, Sivarama Prasad Lekkala, George Thomas, Srinivasan Narasimhan, Arjula R Reddy, V B Reddy Lachagari. J Biomol Struct Dyn 2022
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SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor.
Markus Hoffmann, Hannah Kleine-Weber, Simon Schroeder, Nadine Krüger, Tanja Herrler, Sandra Erichsen, Tobias S Schiergens, Georg Herrler, Nai-Huei Wu, Andreas Nitsche,[...]. Cell 2020
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13
Co-cited is the co-citation frequency, indicating how many articles cite the article together with the query article. Similarity is the co-citation as percentage of the times cited of the query article or the article in the search results, whichever is the lowest. These numbers are calculated for the last 100 citations when articles are cited more than 100 times.