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


4058  247.301
RB NOA Rings logP


DrugBank ID:



A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration. [DrugBank]


Kappa-type opioid receptor (Humans); Glutamate receptor ionotropic, NMDA 1 (Humans); Glutamate receptor ionotropic, NMDA 2B (Humans); Glutamate receptor ionotropic, NMDA 2A (Humans); Glutamate receptor ionotropic, NMDA 2C (Humans); Glutamate receptor ionotropic, NMDA 2D (Humans); Muscarinic acetylcholine receptor (Humans); Mu-type opioid receptor (Humans); Sodium-dependent dopamine transporter (Humans); Sodium-dependent noradrenaline transporter (Humans); Sodium-dependent serotonin transporter (Humans); Liver carboxylesterase 1 (Humans) [DrugBank]


Meperidine is a synthetic opiate agonist belonging to the phenylpiperidine class. Meperidine may produce less smooth muscle spasm, constipation, and depression of the cough reflex than equivalent doses of morphine. The onset of action is lightly more rapid than with morphine, and the duration of action is slightly shorter. The chemical structure of meperidine is similar to local anesthetics. Meperidine is recommended for relief of moderate to severe acute pain and has the unique ability to interrupt postoperative shivering and shaking chills induced by amphotericin B. Meperidine has also been used for intravenous regional anesthesia, peripheral nerve blocks and intraarticular, epidural and spinal analgesia. Meperidine is considered a second-line agent for the treatment of acute pain. [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: PL-PRO

Docking Site: S3/S4 pockets

Ligand: Pethidine

Vina score: -6.8

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

Step 1 - Target prediction for Pethidine: SwissTargetPrediction

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

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