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


26879  204.300
RB NOA Rings logP


DrugBank ID:



Levamisole is an antihelminthic drug that was commonly used for the treatment of parasitic, viral, and bacterial infections.It was manufactured byJanssenand first used in 1969 as an agent to treat worm infestationsLevamisole was approved by the FDA in 1990 as an adjuvant treatment for colon cancer.Prior to this, levamisole was used as an antirheumatic therapy in the 1970s and 1980s for patients with rheumatoid arthritis.Because of its immunomodulatory effects, this drug has been studied in the treatment of various immune-mediated diseases, with some studies showing positive results.This drug has also been used in combination with other drugs for the treatment of various cancers.Levamisole was withdrawn from the American market in 2000 due to its ability to cause serious adverse effects, including agranulocytosis.Interestingly, levamisole has been found as an adulterant in cocaine and can lead to a variety of adverse effects in individuals using this drug. [DrugBank]


Neuronal acetylcholine receptor subunit alpha-3 (Humans); Alkaline phosphatase, placental-like (Humans); Acetylcholine receptor subunit alpha-type unc-38 (Caenorhabditis elegans); Acetylcholine receptor subunit alpha-type unc-63 (Caenorhabditis elegans); Acetylcholine receptor subunit beta-type lev-1 (Caenorhabditis elegans); Acetylcholine receptor subunit beta-type unc-29 (Caenorhabditis elegans) [DrugBank]


Levamisole is a synthetic imidazothiazole derivative that has been widely used in treatment of worm infestations in both humans and animals. As an anthelmintic, it probably works by targeting the nematode nicotinergic acetylcholine receptor. As an immunomodulator, it appears that Levamisole is an immunostimulant which has been shown to increase NK cells and activated T-cells in patients receiving this adjuvantly along with 5FU for Stage III colon cancer. [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: PL-PRO

Docking Site: S3/S4 pockets

Ligand: Levamisole

Vina score: -6.4

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

Step 1 - Target prediction for Levamisole: SwissTargetPrediction

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

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