抗病毒药物的研究重点
重点在于现有抗病毒药物的再利用研究。
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| 冠状病毒相关论文 | 系统发育动力学 | 抗病毒药物设计 | 计算机辅助疫苗设计 |
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JBSD papers |
1. Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020. 5
2. Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CL(pro). JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 2020.6
3. In-silico investigation of phytochemicals fromAsparagus racemosusas plausible antiviral agent in COVID-19. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6
4. Sars-cov-2 host entry and replication inhibitors from Indian ginseng: anin-silicoapproach. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6
5. Identification of bioactive compounds fromGlycyrrhiza glabraas possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
6. SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective. Journal of Biomolecular Structure and Dynamics . 2020.4
7. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.7
8. Cyanobacterial metabolites as promising drug leads against the M(pro)and PL(pro)of SARS-CoV-2: anin silicoanalysis.JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
9. Targeting virus-host interaction by novel pyrimidine derivative: anin silicoapproach towards discovery of potential drug against COVID-19. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.7
10. Bacterial protein azurin and derived peptides as potential anti-SARS-CoV-2 agents: insights from molecular docking and molecular dynamics simulations. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.7
11. In silicoidentification of potential inhibitors fromCinnamonagainst main protease and spike glycoprotein of SARS CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6
12. Targeting SARS-COV-2 non-structural protein 16: a virtual drug repurposing study. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
13. Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6
14. Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of somein-housemolecules as papain-like protease (PLpro) inhibitors. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6.
15. Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6
16. Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CL(pro)). JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.7
17.Molecular docking, simulation and MM-PBSA studies ofnigella sativacompounds: a computational quest to identify potential natural antiviral for COVID-19 treatment. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
18. In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
19. Structural and simulation analysis of hotspot residues interactions of SARS-CoV 2 with human ACE2 receptor. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
20. Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches.JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6
21. Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.5
22. Tackling COVID-19: identification of potential main protease inhibitors via structural analysis, virtual screening, molecular docking and MM-PBSA calculations. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.7: DOI: 10.1080/07391102.2020.1800514
23. Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies.JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.7
24. Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: anin silicobased approach. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.5: DOI: 10.1080/07391102.2020.1768902
25. Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.5
26 Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.5
27. Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.7 : DOI: 10.1080/07391102.2020.1796804
28. Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.7: DOI: 10.1080/07391102.2020.1796812
29. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.7
30 SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.5