id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-266308-fjpq1ljp	Mondal, Priya	Traditional medicinal plants against replication, maturation and transmission targets of SARS-CoV-2: computational investigation	2020-11-05		.txt	text/plain	6882	383	50	Binding energies (BEs; kcal/mol) of selected bioactives from medicinal plants with SARS-CoV-2 M pro , S-protein and human ACE2 and their chemical interactions with the binding site. Among the standard drugs, nelfinavir, an anti-retroviral and protease inhibitor, has shown a stronger affinity towards all three targets of SARS-CoV-2 with the BE of À8.3 kcal/mol for M pro , À6.6 kcal/mol for S-protein and À6.4 kcal/mol for ACE2 (Supporting Information Table S1 ). In our current study, the selected bioactives from medicinal plants as well as standard drugs have shown interaction towards the key residues of the S-protein receptor-binding motif, as shown in Supporting Information Fig. S4 and S5 . The interactions of the standard drugs and medicinal plant bioactives were also similar towards hotspot residues of the ACE2 receptor as shown in Supporting Information Fig. S7 and S8.	./cache/cord-266308-fjpq1ljp.txt	./txt/cord-266308-fjpq1ljp.txt