| Ident. | Authors (with country if any) | Title |
|---|
| 000038 (2021) |
María Antonela Zígolo [Argentine] ; Matías Rivero Goytia [Argentine] ; Hugo Ramiro Poma [Argentine] ; Ver Nica Beatriz Rajal [Singapour] ; Ver Nica Patricia Irazusta [Argentine] | Virtual screening of plant-derived compounds against SARS-CoV-2 viral proteins using computational tools. |
| 000116 (2021) |
Sathishkumar Chidambaram [Inde] ; Mohamed A. El-Sheikh [Arabie saoudite] ; Ahmed H. Alfarhan [Arabie saoudite] ; Surendrakumar Radhakrishnan [Inde] ; Idhayadhulla Akbar [Inde] | Synthesis of novel coumarin analogues: Investigation of molecular docking interaction of SARS-CoV-2 proteins with natural and synthetic coumarin analogues and their pharmacokinetics studies. |
| 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. |
| 000129 (2021) |
Sinosh Skariyachan [Inde] ; Dharshini Gopal [Inde] ; Aditi G. Muddebihalkar [Inde] ; Akshay Uttarkar [Inde] ; Vidya Niranjan [Inde] | Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies. |
| 000130 (2021) |
Yudibeth Sixto-L Pez [Mexique] ; José Correa-Basurto [Mexique] ; Martiniano Bello [Mexique] ; Bruno Landeros-Rivera [France] ; Jose Antonio Garz N-Tiznado [Mexique] ; Sarita Monta O [Mexique] | Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population. |
| 000174 (2021) |
Abdo A. Elfiky [Égypte] | SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective. |
| 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. |
| 000233 (2021) |
Olfa Noureddine [Tunisie] ; Noureddine Issaoui [Tunisie] ; Mouna Medimagh [Tunisie] ; Omar Al-Dossary [Arabie saoudite] ; Houda Marouani [Tunisie] | Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations. |
| 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. |
| 000264 (2021) |
Yanqiang Han ; Zhilong Wang ; Jiahao Ren ; Zhiyun Wei ; Jinjin Li [République populaire de Chine] | Potential inhibitors for the novel coronavirus (SARS-CoV-2). |
| 000271 (2021) |
Ahmed A. Ishola [Nigeria] ; Kayode E. Adewole [Nigeria] ; Habibu Tijjani [Nigeria] ; Suliat I. Abdulai [Nigeria] ; Nnaemeka T. Asogwa [Nigeria] | Phylogenic analysis of coronavirus genome and molecular studies on potential anti-COVID-19 agents from selected FDA-approved drugs. |
| 000292 (2021) |
Hesham Refaat [Égypte] ; Fatma M. Mady [Égypte] ; Hatem A. Sarhan [Égypte] ; Heba S. Rateb [Égypte] ; Eman Alaaeldin [Égypte] | Optimization and evaluation of propolis liposomes as a promising therapeutic approach for COVID-19. |
| 000307 (2021) |
Shweta A. More [Inde] ; Akshay S. Patil [États-Unis] ; Nikhil S. Sakle [Inde] ; Santosh N. Mokale [Inde] | Network analysis and molecular mapping for SARS-CoV-2 to reveal drug targets and repurposing of clinically developed drugs. |
| 000326 (2021) |
C N Prashantha [Inde] ; K. Gouthami [Inde] ; L. Lavanya [Inde] ; Sivaramireddy Bhavanam [Inde] ; Ajay Jakhar [Inde] ; R G Shakthiraju [Inde] ; V. Suraj [Inde] ; K V Sahana [Inde] ; H S Sujana [Inde] ; N M Guruprasad [Inde] ; R. Ramachandra [Inde] | Molecular screening of antimalarial, antiviral, anti-inflammatory and HIV protease inhibitors against spike glycoprotein of coronavirus. |
| 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. |
| 000331 (2021) |
Haruna Isiyaku Umar [Nigeria, Inde] ; Bushra Siraj [Inde, Pakistan] ; Adeola Ajayi [Nigeria] ; Tajudeen O. Jimoh [Thaïlande, Ouganda] ; Prosper Obed Chukwuemeka [Nigeria] | Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirus. |
| 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. |
| 000375 (2021) |
Mustafa M. Kadhim [Iraq] ; Abbas Washeel Salman [Iraq] ; Ameerah Mrebee Zarzoor [Iraq] ; Wesam R. Kadhum [Iraq] | Inhibition of SARS-CoV-2 reproduction using Boswellia carterii: A theoretical study. |
| 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. |
| 000510 (2021) |
Smarajit Maiti [Inde] ; Amrita Banerjee [Inde] | Epigallocatechin gallate and theaflavin gallate interaction in SARS-CoV-2 spike-protein central channel with reference to the hydroxychloroquine interaction: Bioinformatics and molecular docking study. |
| 000556 (2021) |
Biswa Mohan Sahoo [Inde] ; B V V. Ravi Kumar [Inde] ; J. Sruti [Inde] ; Manoj Kumar Mahapatra [Inde] ; Bimal K. Banik [Arabie saoudite] ; Preetismita Borah [Inde] | Drug Repurposing Strategy (DRS): Emerging Approach to Identify Potential Therapeutics for Treatment of Novel Coronavirus Infection. |
