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. 2022 May 12;288:106824. doi: 10.1016/j.bpc.2022.106824

Table 4.

Comparison of different blockers for PLpro of SARS-CoV-2, blockers' structures, and software used for docking.

Compound Chemical structure Target Software Ref.
6TG Image 51 PLpro – [85]
6MP Image 52 PLpro – [85]
CMK Image 53 PLpro – [84]
Cm–FF–H Image 54 PLpro – [84]
VIR251 Image 55 PLpro OPLS force field, CovDock, Maestro (Schrödinger LLC) [82]
F403_0159 Image 56 PLpro OPLS force field, CovDock, Maestro (Schrödinger LLC) [82]
Curcumin Image 57 PLpro OPLS force field, CovDock, Maestro (Schrödinger LLC) [82]
Afatinib Image 58 PLpro OPLS force field, CovDock, Maestro (Schrödinger LLC) [82]
Anagliptin Image 59 PLpro OPLS force field, CovDock, Maestro (Schrödinger LLC) [82]
Bortuzomib Image 60 PLpro – [84]
Disulfiram Image 61 PLpro – [101]
Lopinavir Image 62 PLpro – [102]