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

Table 4

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

Rank	Peptide	Length	Definition	Species	Representative	Energy
1	AP00260	22	Maculatin 1.1	Frog	Center	-1692.0
2	AP02733	55	Piscidin	Fish	Center	-1581.2
3	AP00179	33	Human neutrophil peptide-4 (Alpha def)	Human	Center	-1498.5
4	AP00340	25	Chrysophsin-2	Fish	Center	-1488.6
5	AP00181	32	Human defensin 6	Human	Center	-1399.5
6	AP00180	32	Human defensin 5 (alpha defensin)	Human	Center	-1340.8
7	AP00222	32	RatNP-1 (rat alpha defensin,)	Rat	Center	-1340.8
8	AP00223	32	RatNP-2 (rat alpha defensin)	Rat	Center	-1340.8
9	AP00764	24	Dermaseptin-S9	Frog	Center	-1338.8
10	AP00742	42	Chicken AvBD6 (Beta def)	Chicken	Center	-1264.8
11	AP02148	50	Apl-AvBD16 (Beta def)	Bird	Center	-1264.8
12	HR2P	36	HR2 region of MERS-CoV	Synthetic	Center	-1256.9
13	AP00174	31	Guinea pig neutrophil cationic peptide 1	Guinea pig	Center	-1223.0
14	AP01788	43	Myticin C	molluscs	Center	-1202.7
15	AP02830	43	ccBD (Channel Catfish beta def)	Fish	Center	-1184.3
16	AP00074	24	Brevinin-1	Frog	Center	-1184.2
17	AP02663	23	Piscidins	Fish	Center	-1184.2
18	AP01356	46	Cp-thionin II	Plant	Center	-1139.1
19	AP00166	25	Pleurocidin	Fish	Center	-1137.1
20	AP00225	31	RatNP-4 (rat defensin)	Rat	Center	-1103.8
21	AP00036	38	Bovine Beta-defensin 1	Bovine	Center	-1103.7
22	AP00744	41	AvBD-5, chicken avian beta defensin)	Chicken	Center	-1103.7
23	AP00160	28	Dermaseptin-S4	Frog	Center	-1097.0
24	AP00641	33	Pardaxin 1	Fish	Center	-1050.1
25	AP00549	40	Plectasin (fungal defensin)	Fungus	Center	-994.2
26	AP00275	31	Circulin B (cyclotides)	Plant	Center	-993.9
27	AP01022	31	Cycloviolin A (cyclotides)	Plant	Center	-993.9
28	AP01061	31	Circulin D (cyclotides)	Plant	Center	-993.9
29	AP00846	43	Mundticin KS (Bacteriocin)	Bacteria	Center	-937.1
30	P9	30	Mouse Beta-defensin	Mouse	Center	-925.5
31	AP00532	20	Lunatusin	Plant	Center	-921.9
32	AP02571	31	Cycloviolacin VY1 (cyclotides)	Plant	Center	-897.7
33	AP00144	23	Magainin 2	Frog	Center	-868.2
34	AP00771	23	Magainin 1	Frog	Center	-868.2
35	AP01644	30	Brevinin-2-RN1	Frog	Center	-868.2
36	AP00692	30	HFIAP-3 (Hagfish cathelicidin)	Fish	Center	-821.3
37	AP00729	29	Kalata B1 (cyclotides)	Plant	Center	-805.8
38	AP00730	31	Kalata B8 (cyclotides)	Plant	Center	-805.8
39	AP01065	31	Cycloviolacin 014 (cyclotides)	Plant	Center	-805.8