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Ergoloid (Dihydroergocristine)

107715  611.734
RB NOA Rings logP


DrugBank ID:



Dihydroergocristine is part of the ergoloid mixture products.It is a semisynthetic ergot alkaloid and thus, it is characterized by a structural skeleton formed by an alkaloid ergoline.To know more about ergoloid mixtures, please visitErgoloid mesylate. [DrugBank]


Serotonin Receptors (Humans); Beta adrenergic receptor (Humans); Alpha adrenergic receptor (Humans); Dopamine receptor (Humans) [DrugBank]


Dihydroergocristine has been shown to present effect on memory and cognition. This activity in the brain is been reported by an increase in glutathione in age-related brain states.2 The reported effect on serotonin and adrenergic receptors has also been correlated to an inhibition of platelet aggregation.8 It has also been reported that individuals exposed to dihydroergocristine may present an amphoteric vasoregulating activity either hypotensive in hypertensive individuals or hypertensive in hypotensive individuals.1 This action is performed by promoting a dilating action in the contracted arteries and a tonic action in the dilated arteries and arterioles.8 The vasoregulating effect causes an increase in cerebral blood flow and oxygen consumption by the brain, which correlates with the brain protective function of dihydroergocristine.2 In Alzheimer studies, dihydroergocristine reduced the amyloid-beta levels in different cell types.4 To know more about dihydroergocristine as part of the ergoloid mesylate mixture, please visit Ergoloid mesylate. [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: Ergoloid (Dihydroergocristine)

Vina score: -9

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for Ergoloid (Dihydroergocristine): SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Ergoloid (Dihydroergocristine) in the SMILES input box.

Step 2 - Blind docking for Ergoloid (Dihydroergocristine): CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Ergoloid (Dihydroergocristine) to perform blind docking.