Tracking the relevant researches of CADD drug development against COVID-19


5419  200.310
RB NOA Rings logP


DrugBank ID:



Tetryzoline, also known as tetrahydrozoline, is a derivative of imidazoline with central and peripheral alpha (α)-adrenergic properties.Available since the 1950s, tetryzoline is a selective α-receptor agonistthat is used as an ocular and nasal decongestant. Tetryzoline is found in a wide array of over-the-counter eye drops, including the most common brand, Visine.Tetryzoline is also found in combination products with other lubricants and anti-irritants, such aspovidone,polyethylene glycol 400,dextran, andzinc sulfate.It is also used in combination with other drug classes, such as antihistamines, corticosteroids, and glucocorticoids in other countries. Tetryzoline is also found in nasal spray under the trade name Tyzine, which is used for decongestion of nasal and nasopharyngeal mucosa.As it causes profound sedation in children and adults, tetryzoline is increasingly becoming scrutinized for possible drug overdose and toxicity from accidental ingestion.It has also been misused for non-therapeutic purposes as a causative drug for several cases of drug-facilitated sexual assault. [DrugBank]


Alpha-1 adrenergic receptors (Humans); Alpha-2 adrenergic receptors (Humans) [DrugBank]


Tetryzoline is a sympathomimetic amine and an alpha-adrenergic agonist with vasoconstricting and decongestant properties. It works by constricting the smaller arterioles of the nasal passages 13 and conjunctival blood vessels to ameliorate allergic rhinitis, nasal congestion, and ocular irritation.3 Tetryzoline is known to cross the blood-brain barrier to work on alpha-2 adrenoceptors and imidazole receptors,3 causing effects like hypotension, bradycardia, analgesia, hypothermia, sedation, and hypnosis.3 [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: PL-PRO

Docking Site: S3/S4 pockets

Ligand: Tetrahydrozoline

Vina score: -7.3

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

Step 1 - Target prediction for Tetrahydrozoline: SwissTargetPrediction

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

Step 2 - Blind docking for Tetrahydrozoline: 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 Tetrahydrozoline to perform blind docking.