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Project title:
Creating an atlas of interactions of bioactive compounds and peptides with the proteins and glycoproteins of the 2019-nCOV virus as well as with the human ACE2 protein, and the design of new inhibitors with potential activity against COVID-19
Research groups:
- Bioinformatics Laboratory, Mossakowski Medical Research Centre Polish Academy of Sciences
- Laboratory of Molecular Design and Bioinformatics, Faculty of Physics, University of Warsaw
Preliminary research:
- P. Grieb and B. Lesyng, “Understanding the coronavirus“, (report in a form of presentation), Warsaw 20.03.2020.
- K. A. Krzyśko, L.Charzewski, P. Chyży, M. Koliński, B. Lesyng, “Interactions of drug-set-1 and drug-set-2 with 3CL protease“, Warsaw, 04.2020.
- Ł. Charzewski, “DrugBank Screening for 3CL inhibitors“.
- Julia Bartkowska, Daria Kaminska, Mateusz Zalewski, CORONAVIRUS WEB SERVICE, (information about the coronavirus pandemic – only in Polish).
- The binding energy of 10 antiviral drugs in complex with SARS-CoV-2 protease:
- Binding poses of 4 antiviral drugs (brecanavir, lopinavir, nelfinavir and saquinavir) in complex with SARS-CoV-2 protease:
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| brecanavir | lopinavir |
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| nelfinavir | saquinavir |