| Ident. | Authors (with country if any) | Title |
|---|
| 000128 (2021) |
Deepak Mishra [Inde] ; Radha Raman Maurya [Inde] ; Kamlesh Kumar [Inde] ; Nupur S. Munjal [Inde] ; Vijay Bahadur [Inde] ; Sandeep Sharma [Inde] ; Prashant Singh [Inde] ; Indra Bahadur [Afrique du Sud] | Structurally modified compounds of hydroxychloroquine, remdesivir and tetrahydrocannabinol against main protease of SARS-CoV-2, a possible hope for COVID-19: Docking and molecular dynamics simulation studies. |
| 000203 (2021) |
F O Shode [Afrique du Sud] ; A S K. Idowu [Afrique du Sud] ; O J Uhomoibhi [Afrique du Sud] ; S. Sabiu [Afrique du Sud] | Repurposing drugs and identification of inhibitors of integral proteins (spike protein and main protease) of SARS-CoV-2. |
| 000241 (2021) |
Walter Filgueira De Azevedo Junior ; Gabriela Bitencourt-Ferreira ; Joana Retzke Godoy ; Hilda Mayela Aran Adriano ; Wallyson André Dos Santos Bezerra [États-Unis] ; Alexandra Martins Dos Santos Soares [États-Unis] | Protein-ligand Docking Simulations with AutoDock4 Focused on the Main Protease of SARS-CoV-2. |
| 000330 (2021) |
Himanshu Rai [Inde] ; Atanu Barik [Inde] ; Yash Pal Singh [Inde] ; Akhil Suresh [Inde] ; Lovejit Singh [Inde] ; Gourav Singh [Inde] ; Usha Yogendra Nayak [Inde] ; Vikash Kumar Dubey [Inde] ; Gyan Modi [Inde] | Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19. |
| 000332 (2021) |
R K Hussein [Arabie saoudite] ; H M Elkhair [Arabie saoudite, Soudan] | Molecular docking identification for the efficacy of some zinc complexes with chloroquine and hydroxychloroquine against main protease of COVID-19. |
| 000351 (2021) |
Clara Bonanad [Espagne] ; Pablo Díez-Villanueva [Espagne] ; Sergio García-Blas [Espagne] ; Manuel Martínez-Sellés [Espagne] | Main challenges of electrolyte imbalance in older patients with COVID-19 and risk of QT prolongation. Response. |
| 000383 (2021) |
Haruna I. Umar [Nigeria] ; Sunday S. Josiah [Nigeria] ; Tolulope P. Saliu [Nigeria] ; Tajudeen O. Jimoh [Thaïlande] ; Adeola Ajayi [Nigeria] ; Jamilu B. Danjuma [Nigeria] | In-silico analysis of the inhibition of the SARS-CoV-2 main protease by some active compounds from selected African plants. |
| 000466 (2021) |
Iram Iqbal Hejazi [Inde] ; Md Amjad Beg [Inde] ; Md Ali Imam [Inde] ; Fareeda Athar [Inde] ; Asimul Islam [Inde] | Glossary of phytoconstituents: Can these be repurposed against SARS CoV-2? A quick in silico screening of various phytoconstituents from plant Glycyrrhiza glabra with SARS CoV-2 main protease. |
| 000736 (2021) |
Sukanth Kumar Enmozhi [Inde] ; Kavitha Raja [Inde] ; Irudhayasamy Sebastine [Inde] ; Jerrine Joseph [Inde] | Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach. |
| 000985 (2020) |
Emanuelle Machado Marinho [Brésil] ; João Batista De Andrade Neto [Brésil] ; Jacilene Silva [Brésil] ; Cecília Rocha Da Silva [Brésil] ; Bruno Coelho Cavalcanti [Brésil] ; Emmanuel Silva Marinho [Brésil] ; Hélio Vitoriano Nobre Júnior [Brésil] | Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease. |
| 000A93 (2020) |
A S Achutha [Inde] ; V L Pushpa [Inde] ; Surendran Suchitra [Inde] | Theoretical Insights into the Anti-SARS-CoV-2 Activity of Chloroquine and Its Analogs and In Silico Screening of Main Protease Inhibitors. |
| 000B08 (2020) |
Doaa A. Abdelrheem [Égypte] ; Shimaa A. Ahmed [Égypte] ; H R Abd El-Mageed [Égypte] ; Hussein S. Mohamed [Égypte] ; Aziz A. Rahman [Bangladesh] ; Khaled N M. Elsayed [Égypte] ; Sayed A. Ahmed [Égypte] | The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation. |
| 000B63 (2020) |
Erol C. Vatansever [États-Unis] ; Kai Yang [États-Unis] ; Kaci C. Kratch [États-Unis] ; Aleksandra Drelich [États-Unis] ; Chia-Chuan Cho [États-Unis] ; Drake M. Mellott [États-Unis] ; Shiqing Xu [États-Unis] ; Chien-Te K. Tseng [États-Unis] ; Wenshe Ray Liu [États-Unis] | Targeting the SARS-CoV-2 Main Protease to Repurpose Drugs for COVID-19. |
| 000C28 (2020) |
Praveen Kumar Tripathi [Inde] ; Saurabh Upadhyay [Inde] ; Manju Singh [Inde] ; Siva Raghavendhar [Inde] ; Mohit Bhardwaj [Inde] ; Pradeep Sharma [Inde] ; Ashok Kumar Patel [Inde] | Screening and evaluation of approved drugs as inhibitors of main protease of SARS-CoV-2. |
| 000E38 (2020) |
Trina Ekawati Tallei [Indonésie] ; Sefren Geiner Tumilaar [Indonésie] ; Nurdjannah Jane Niode [Indonésie] ; Fatimawali [Indonésie] ; Billy Johnson Kepel [Indonésie] ; Rinaldi Idroes [Indonésie] ; Yunus Effendi [Indonésie] ; Shahenur Alam Sakib [Bangladesh] ; Talha Bin Emran [Bangladesh] | Potential of Plant Bioactive Compounds as SARS-CoV-2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study. |
| 000F21 (2020) |
Soumya Basu [Inde] ; Balaji Veeraraghavan [Inde] ; Sudha Ramaiah [Inde] ; Anand Anbarasu [Inde] | Novel cyclohexanone compound as a potential ligand against SARS-CoV-2 main-protease. |
| 000F42 (2020) |
Priyanka Sharma [Inde] ; Asifkhan Shanavas [Inde] | Natural derivatives with dual binding potential against SARS-CoV-2 main protease and human ACE2 possess low oral bioavailability: a brief computational analysis. |
| 000F44 (2020) |
Md Tabish Rehman [Italie] ; Mohamed F. Alajmi [Italie] ; Afzal Hussain [Italie] | Natural Compounds as Inhibitors of SARS-CoV-2 Main Protease (3CLpro): A Molecular Docking and Simulation Approach to Combat COVID-19. |
| 001046 (2020) |
Tiago Da Silva Arouche [Brésil] ; Arthur Ferreira Reis [Brésil] ; Anderson Yuri Martins [Brésil] ; Jose Francisco S Costa [Brésil] ; Raul Nunes Carvalho Junior [Brésil] ; Antonio Maia J C Neto [Brésil] | Interactions Between Remdesivir, Ribavirin, Favipiravir, Galidesivir, Hydroxychloroquine and Chloroquine with Fragment Molecular of the COVID-19 Main Protease with Inhibitor N3 Complex (PDB ID:6LU7) Using Molecular Docking. |
| 001058 (2020) |
Nabajyoti Baildya [Inde] ; Narendra Nath Ghosh [Inde] ; Asoke P. Chattopadhyay [Inde] | Inhibitory activity of hydroxychloroquine on COVID-19 main protease: An insight from MD-simulation studies. |
| 001113 (2020) |
Zhe Li [République populaire de Chine] ; Xin Li [République populaire de Chine] ; Yi-You Huang [République populaire de Chine] ; Yaoxing Wu [République populaire de Chine] ; Runduo Liu [République populaire de Chine] ; Lingli Zhou [République populaire de Chine] ; Yuxi Lin [République populaire de Chine] ; Deyan Wu [République populaire de Chine] ; Lei Zhang [République populaire de Chine] ; Hao Liu [République populaire de Chine] ; Ximing Xu [République populaire de Chine] ; Kunqian Yu [République populaire de Chine] ; Yuxia Zhang [République populaire de Chine] ; Jun Cui [République populaire de Chine] ; Chang-Guo Zhan [République populaire de Chine, États-Unis] ; Xin Wang [République populaire de Chine] ; Hai-Bin Luo [République populaire de Chine] | Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs. |
