Table 4.
RMSD values for the proteins selected in the study.
| Parkinson’s Disease | ||
|---|---|---|
| Protein | Binder PDB ID | RMSD |
| Adenosin Receptor (PDB: 3UZA) | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine - T4G | 0.1471 |
| Alpha Synuclein (PDB: 1XQ8) | - | - |
| COMT (PDB: 1H1D) | 1-(3,4,Dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one - BIA | 1.3867 |
| MAO (PDB: 2C65) | (1R)-4-({[Ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium - 4CR | 4.6072 |
| D1 (PDB: 7JOZ) | 6-{4-[(furo [3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione - VFP | 0.0993 |
| D2 (PDB: 6CM4) | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido [1,2-a]pyrimidin-4-one - 8NU | 0.1423 |
| Alzheimer’s Disease | ||
| Protein | Binder PDB ID | RMSD |
| Acetylcholinesterase (PDB: 3BKL) | N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan - KAW | 0.3335 |
| BACE (PDB: 4DJU) | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one - 0KK | 0.1312 |
| GSK3 (PDB: 4ACD) | 3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide - GR9 | 0.1702 |
| TACE (PDB: 2FV5) | (2r)-N-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide - 541 | 1.4912 |