Advances in Bioinformatics / 2019 / Article / Tab 4 / Research Article
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