彭司实验室

Coronavirus

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Coronavirus papers

phylogenetic dynamics

Antiviral drug design

Computer-aided vaccine design

1. Reverse vaccinology approach to design a novelmulti-epitope vaccine candidate against COVID-19:an in silico study

2. Reverse vaccinology approach to design a novel multi-epitope subunit vaccine against avian influenza A (H7N9) virus. MICROBIAL PATHOGENESIS . 2019.5

3. Identification and Design of a Next-Generation Multi Epitopes Bases Peptide Vaccine Candidate Against Prostate Cancer: An In Silico Approach . CELL BIOCHEMISTRY AND BIOPHYSICS. 2020.4

4. Comprehensive in silico Study of GLUT10: Prediction of Possible Substrate Binding Sites and Interacting Molecules. CURRENT PHARMACEUTICAL BIOTECHNOLOGY.2020

5 Computational tools for modern vaccine development. HUMAN VACCINES & IMMUNOTHERAPEUTICS. 2019.12: DOI: 10.1080/21645515.2019.1670035

6. Computational approaches in epitope design using DNA binding proteins as vaccine candidate in Mycobacterium tuberculosis. INFECTION GENETICS AND EVOLUTION.2020.9:: DOI: 10.1016/j.meegid.2020.104357

7.3CL hydrolase-based multiepitope peptide vaccine against SARS-CoV-2 using immunoinformatics. JOURNAL OF MEDICAL VIROLOGY.2020.5: DOI: 10.1002/jmv.25993

8. Extensive immunoinformatics study for the prediction of novel peptide-based epitope vaccine with docking confirmation against envelope protein of Chikungunya virus: a computational biology approach. OURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.2: DOI: 10.1080/07391102.2020.1726815

9. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.7

10. 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

11. 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

12. Epitope based peptide vaccine against SARS-COV2: an immune-informatics approach. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 2020.7

13. 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

14. In silicoidentification of potential inhibitors fromCinnamonagainst main protease and spike glycoprotein of SARS CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6

15. Targeting SARS-COV-2 non-structural protein 16: a virtual drug repurposing study. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6

16. Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.6

17. 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.

18. Computational search for potential COVID-19 drugs from FDA-approved drugs and small molecules of natural origin identifies several anti-virals and plant products. JOURNAL OF BIOSCIENCES. 2020.7

19. 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

20. 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

21.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

22. In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6

23. Structural and simulation analysis of hotspot residues interactions of SARS-CoV 2 with human ACE2 receptor. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6

24. Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches.JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.6

25. 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

26. 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

27. 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

28. 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

29. Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.5

30 Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.5

31. 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

32. 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

33. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2020.7

34. SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS.2020.5

我们的研究重点

我们以S蛋白为研究重点，以冠状病毒中和抗体筛选为主要探索方向。