DIHYDROERGOTAMINE
DrugBank ID: db00320
DrugCentral: dihydroergotamine
Synonymous :(2r,4r,7r)-n-[(1s,2s,4r,7s)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide | 5’-benzyl-12’-hydroxy-2’-methyl-3’,6’,18-trioxo-9,10-dihydroergotaman | 9,10-dihydro-12’-hydroxy-2’-methyl-5’-(phenylmethyl)ergotoman-3’,6’,18-trione | 9,10-dihydroergotamine | dihidroergotamina | dihydroergotamin | dihydroergotamine | dihydroergotaminum | diidroergotamina
Drug Sentece Context
Table 1. Analysis of context sentence of dihydroergotamine gene in 4 abstracts.
| pmid | sentence |
|---|---|
| 32752938 | Tetracycline, dihydroergotamine, ergotamine, dutasteride, nelfinavir, and paliperidone formed stable interactions with 3CLpro based on MD simulation results. […] Docking results suggest that ergotamine, dihydroergotamine, bromocriptine, dutasteride, conivaptan, paliperidone, and tipranavir can bind to both enzymes with high affinity. |
| 32837219 | Interestingly, the anti-migraine drugs such as ergotamine and its derivative, dihydroergotamine were found to bind to all the three target enzymes within the Cys-His catalytic dyad cleft with lower binding energies as compared to the control inhibitors (α-ketoamide 13b, SG85 and GC813) and the molecules are held within the pocket through a good number of hydrogen bonds and hydrophobic interactions. |
| 33119257 | An RMSD cutoff winnowed down the pool to 12, and free energy analysis (MM/PBSA) produced the final selection of 9 drugs: dihydroergotamine, midostaurin, ziprasidone, etoposide, apixaban, fluorescein, tadalafil, rolapitant, and palbociclib. |
| 33154404 | In addition, we have identified a few compounds such as Phthalocyanine, Tadalafil, Lonafarnib, Nilotinib, Dihydroergotamine, R-428 which can bind to all three targets simultaneously and can serve as multi-targeting drugs. |