ERGOTAMINE


DrugBank ID: db00696
DrugCentral: ergotamine
Synonymous :(5’α)-12’-hydroxy-2’-methyl-5’-(phenylmethyl)ergotoman-3’,6’,18-trione | 12’-hydroxy-2’-methyl-5’alpha-(phenylmethyl)ergotaman-3’,6’,18-trione | 12’-hydroxy-2’-methyl-5’α-(phenylmethyl)ergotaman-3’,6’,18-trione | ergotamin | ergotamina | ergotamine | ergotaminum



Drug Sentece Context


Table 1. Analysis of context sentence of ergotamine gene in 2 abstracts.

pmid sentence
32661494 Ergotamine, amphotericin b, and vancomycin are most promising to block the interaction of the SARS-CoV-2 S-protein with human ACE-2.
32692306 Several promising approved drugs, including Simeprevir, Ergotamine, Bromocriptine and Tadalafil, stand out as the best candidates based on their binding energy, fitting score and noncovalent interactions at the binding sites of the receptor.
32752938 Tetracycline, dihydroergotamine, ergotamine, dutasteride, nelfinavir, and paliperidone formed stable interactions with 3CLpro based on MD simulation results. […] Similar analysis with RdRp showed that eltrombopag, tipranavir, ergotamine, and conivaptan bound to the enzyme with high binding free energies. […] 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.