PMID-sentid	Pub_year	Sent_text		comp_official_name	comp_offsetprotein_name	organism	prot_offset
33183178-6	2022	In this study, an antiviral drug- Remdesivir (RdRp inhibitor) and Darunavir (Mpro inhibitor) are used as reference drugs.	Darunavir	66-75	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	77-81	
32530282-10	2020	FEP results indicate that two natural compounds, cannabisin A and isoacteoside, and an HIV-1 PR inhibitor, darunavir, exhibit a large binding free energy to SARS-CoV-2 Mpro, which is larger than that of 13b, the most reliable SARS-CoV-2 Mpro inhibitor recently reported.	Darunavir	107-116	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	168-172	
32530282-10	2020	FEP results indicate that two natural compounds, cannabisin A and isoacteoside, and an HIV-1 PR inhibitor, darunavir, exhibit a large binding free energy to SARS-CoV-2 Mpro, which is larger than that of 13b, the most reliable SARS-CoV-2 Mpro inhibitor recently reported.	Darunavir	107-116	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	237-241	
32530282-13	2020	Replacing Glu166 by an alanine residue leads to ~2.0 kcal/mol decreases in the affinity of darunavir to SARS-CoV-2 Mpro.	Darunavir	91-100	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	115-119	
33183178-9	2022	Besides, to assess the stability, MD simulations studies were performed along with reference inhibitors for Mpro (Darunavir) and RdRp (Remdesivir).	Darunavir	114-123	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	108-112	
33100380-9	2021	Justicia adhatoda alkaloids possessing proper drug-likeness properties and two anti-HIV drugs (lopinavir and darunavir; having binding affinity -7.3 to -7.4 kcal/mol) were docked against SARS CoV-2 Mpro to study their binding properties.	Darunavir	109-118	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	198-202	
33100380-11	2021	Molecular dynamic simulations (100 ns) revealed that Mpro-anisotine complex is more stable, conformationally less fluctuated; slightly less compact and marginally expanded than Mpro-darunavir/lopinavir complex.	Darunavir	182-191	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	53-57	
33100380-11	2021	Molecular dynamic simulations (100 ns) revealed that Mpro-anisotine complex is more stable, conformationally less fluctuated; slightly less compact and marginally expanded than Mpro-darunavir/lopinavir complex.	Darunavir	182-191	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	177-181	
34885967-5	2021	In this work, the interaction mechanism of four HIV protease inhibitors Darunavir (DRV), Lopinavir (LPV), Nelfinavir (NFV), and Ritonavire (RTV) targeting SARS-CoV-2 Mpro was explored by applying docking, molecular dynamics (MD) simulations, and MM-GBSA methods using the broad-spectrum antiviral drug Ribavirin (RBV) as the negative and nonspecific control.	Darunavir	72-81	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	166-170	
32762411-9	2021	Polyphenols having proper drug-likeness properties and two repurposed drugs (lopinavir and darunavir; having binding affinity -7.3 to -7.4 kcal/mol) were docked against SARS CoV-2 Mpro to study their binding properties.	Darunavir	91-100	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	180-184	
32762411-11	2021	Molecular dynamic simulations (100 ns) revealed that all Mpro-polyphenol complexes are more stable, conformationally less fluctuated; slightly less compact and marginally expanded than Mpro-darunavir/lopinavir complex.	Darunavir	190-199	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	57-61	
32762411-11	2021	Molecular dynamic simulations (100 ns) revealed that all Mpro-polyphenol complexes are more stable, conformationally less fluctuated; slightly less compact and marginally expanded than Mpro-darunavir/lopinavir complex.	Darunavir	190-199	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	185-189	
34885967-5	2021	In this work, the interaction mechanism of four HIV protease inhibitors Darunavir (DRV), Lopinavir (LPV), Nelfinavir (NFV), and Ritonavire (RTV) targeting SARS-CoV-2 Mpro was explored by applying docking, molecular dynamics (MD) simulations, and MM-GBSA methods using the broad-spectrum antiviral drug Ribavirin (RBV) as the negative and nonspecific control.	Darunavir	83-86	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	166-170	
34356816-8	2021	In silico analysis indicates that 340 has a higher binding affinity against Mpro than darunavir with DeltaGbinding values of -43.8 and -34.8 kcal/mol, respectively throughout 100 ns MD simulations.	Darunavir	86-95	NEWENTRY	Severe acute respiratory syndrome-related coronavirus	76-80