Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach

Table 3

ClusPro ranking of docked complex based on cluster size (member), where peptides with () represent the experimentally validated against MERS-CoV and are considered as positive controls.

Rank	Peptide	Length	Definition	Species	Representative	Member
1	AP00166	25	Pleurocidin	Fish	Center	134
2	AP00641	33	Pardaxin 1	Fish	Center	134
3	AP00144	23	Magainin 2	Frog	Center	117
4	AP00771	23	Magainin 1	Frog	Center	117
5	AP01644	30	Brevinin-2-RN1	Frog	Center	117
6	AP00764	24	Dermaseptin-S9	Frog	Center	110
7	AP02571	31	Cycloviolacin VY1 (cyclotides)	Plant	Center	110
8	AP00275	31	Circulin B (cyclotides)	Plant	Center	107
9	AP01022	31	Cycloviolin A (cyclotides)	Plant	Center	107
10	AP01061	31	Circulin D (cyclotides)	Plant	Center	107
11	AP00549	40	Plectasin (fungal defensin)	Fungus	Center	101
12	AP00729	29	Kalata B1 (cyclotides)	Plant	Center	101
13	AP00730	31	Kalata B8 (cyclotides)	Plant	Center	101
14	AP01065	31	Cycloviolacin 014 (cyclotides)	Plant	Center	101
15	AP01788	43	Myticin C	molluscs	Center	97
16	AP01356	46	Cp-thionin II	Plant	Center	93
17	AP00742	42	Chicken AvBD6 (Beta def)	Chicken	Center	87
18	AP02148	50	Apl-AvBD16 (Beta def)	Bird	Center	87
19	AP00846	43	Mundticin KS (Bacteriocin)	Bacteria	Center	83
20	AP00532	20	Lunatusin	Plant	Center	78
21	P9	30	Mouse Beta-defensin	Mouse	Center	68
22	AP00692	30	HFIAP-3 (Hagfish cathelicidin)	Fish	Center	67
23	AP00036	38	Bovine Beta-defensin 1	Bovine	Center	66
24	AP00074	24	Brevinin-1	Frog	Center	66
25	AP00744	41	AvBD-5, chicken avian beta defensin)	Chicken	Center	66
26	AP02663	23	Piscidins	Fish	Center	66
27	AP00179	33	Human neutrophil peptide-4 (Alpha def)	Human	Center	57
28	AP00174	31	Guinea pig neutrophil cationic peptide 1	Guinea pig	Center	49
29	AP02733	55	Piscidin	Fish	Center	43
30	AP00160	28	Dermaseptin-S4	Frog	Center	40
31	AP00180	32	Human defensin 5 (alpha defensin)	Human	Center	40
32	AP00222	32	RatNP-1 (rat alpha defensin,)	Rat	Center	40
33	AP00223	32	RatNP-2 (rat alpha defensin)	Rat	Center	40
34	HR2P	36	HR2 region of MERS-CoV	Synthetic	Center	39
35	AP00340	25	Chrysophsin-2	Fish	Center	38
36	AP00181	32	Human defensin 6	Human	Center	37
37	AP00260	22	Maculatin 1.1	Frog	Center	37
38	AP02830	43	ccBD (Channel Catfish beta def)	Fish	Center	33
39	AP00225	31	RatNP-4 (rat defensin)	Rat	Center	31