Table 3. List of drug targets and PPD interaction with SARS-CoV-2 proteins.
| Potential
target gene encoded host target proteins |
Cellular
components |
Degree
centrality |
Betweenness
centrality |
Log2 FC | Uniprot
ID |
Reference
PDB ID |
PPD binding affinity (kcal/mol) | ||
|---|---|---|---|---|---|---|---|---|---|
| SRBD
Uniprot ID: P0DTC2 |
3cLpro
Uniprot ID: P0DTD1 |
N-protein
Uniprot ID: P0DTC9 |
|||||||
| Bcl3 | N, NP, CP | 16 | 1364.72 | -1.621 | P20749 | 1K1A | -265.8 | -288.55 | -244.73 |
| CBL | N, CP, C, PM | 81 | 6405.31 | 1.046 | P22681 | 5HKX | -285.74 | -257.97 | -244.71 |
| CEBPB | N, NP, CP | 28 | 2647.13 | -1.869 | P17676 | 3A5T | -235.81 | -220.39 | -227.41 |
| CRKL | EN, C, EX | 32 | 1158.21 | 1.081 | P46108 | 2EYZ | -302.98 | -273.78 | -276.28 |
| ERBB4 * | N, NP, M, C, PM | 34 | 3037.11 | -2.052 | Q15303 | 3U9U | -289.18 | -280.6 | -281.11 |
| HDAC9 | N, NP, CP | 46 | 6027.63 | 1.027 | Q9UKV0 | 5JI5 | -286.06 | -262.5 | -261.77 |
| KLHL12 | GM, C | 15 | 538.67 | 1.023 | Q53G59 | 2VPJ | -290.49 | -289.48 | -279.35 |
| MYC | N, NP, M, C | 89 | 12884.19 | -2.021 | P01106 | 4ATI | -238.61 | -244.15 | -197.38 |
| NCOA3 | N, CP, EX | 30 | 3580.11 | 1.059 | Q9Y6Q9 | 4F3L | -265.44 | -281.1 | -239.99 |
| SMAD3 | N, CP, C, PM | 69 | 5195.05 | -1.353 | P84022 | 1KHX | -288.66 | -271.12 | -254.11 |
| SMURF1 | N, CP, M, C, PM | 48 | 3655.56 | -1.163 | Q9HCE7 | 5HPL | -269.9 | -241.05 | -233.53 |
| VEGFA | C, PM | 9 | 1123.93 | 0 | P15692 | 2VWE | -234.15 | -230.48 | -243.59 |
| UBC | N, NP, CP, C, PM | 21 | 2832.51 | -1.905 | P0CG48 | 3RT3 | -240.33 | -218.27 | -222.44 |
| ACE | PM | - | - | - | Q9BYF1 | 1R42 | -291.07 | - | - |
Note: * denotes ERBB4 selected as drug target; 3cLpro -3C-like protease; ACE2-angiotensin I converting enzyme 2; Bcl3-B-cell lymphoma 3; CBL- casitas b-lineage lymphoma; CEBPB- CCAAT enhancer binding protein beta; CRKL- CRK like proto-oncogene; C-cytosol; CP-cytoplasm; ERBB4- receptor tyrosine-protein kinase erbB-4; EN-Endosome; EX-exosome; FC -fold change; HDAC9- histone deacetylase 9; KLHL12- Kelch-like protein 12; M-mitochondria; MYC- v-myc myelocytomatosis viral oncogene; GM-golgi membrane; N protein- nucleocapsid protein; N-Nucleus; NP-nucleoplasm; PM-plasma membrane; PPD- protein-protein docking; SMAD3-mothers against decapentaplegic homolog 3; NCOA3- nuclear receptor coactivator 3; SMURF1-SMAD-specific E3 ubiquitin protein ligase 1; SRBD- spike protein-receptor binding domain; UBC-ubiquitin C; VEGFA-vascular endothelial growth factor A; FC-Fold change