Computer-Aided Analysis of Multiple SARS-CoV-2 Therapeutic Targets: Identification of Potent Molecules from African Medicinal Plants

Table 1

Grid box coordinates and size parameters used for molecular docking.

	PLpro	3CLpro	RdRp	Helicase	2OMT	S-RBD	ACE2	TMPRSS2
Dimension (Å)
x	20	18	28	28	22	25	60	34
y	24	34	26	24	23	20	42	40
z	26	30	32	32	23	25	26	34
Centre (Å)
x	−35	−20	115	415	90	175	180	9
y	30	25	115	−11	15	115	107	−1
z	33	65	127	85	25	250	255	19

PLpro: papain-like protease; 3CLpro: main/3-chymotrypsin-like protease; RdRp: RNA-dependent RNA polymerase; 2OMT: 2-O-methyltransferase; S-RBD: spike receptor-binding domain; ACE2: human angiotensin-converting enzyme 2; TMPRSS2: human type-II transmembrane serine protease.