Drugs
To see the "in silico" cardiac safety profile of a drug:
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At the time being, 202 drugs are fully described:
Ajmaline, Alfuzosin, Almokalant, Alosetron, Alvimopan, Ambrisentan, Amiodarone, Amitriptyline, Amlodipine, Aprindine, Asenapine, Aspirin, Astemizole, Atenolol, Atomoxetine, Azimilide, Azithromycin, Bedaquiline, Bepridil, Bosutinib, Bupivacaine, Carbamazepine, Carvedilol, Ceftriaxone, Cenobamate, Ceritinib, Cetirizine, Chloroquine, Chlorpheniramine, Chlorpromazine, Cibenzoline, Cilostazol, Ciprofloxacin, Cisapride, Citalopram, Clarithromycin, Clomipramine, Clozapine, Crizotinib, Darifenacin, Darunavir, Dasabuvir, Dasatinib, Deferasirox, Desipramine, Desvenlafaxine, Diazepam, Diltiazem, Digoxin, Diphenhydramine, Disopyramide, Dobutamine, Dofetilide, Dolasetron, Domperidone, Donepezil, Doripenem, Doxepin, Doxorubicin, Dronedarone, Droperidol, Duloxetine, E-4031, Ebastine, Eltrombopag, Encainide, Erythromycin, Etravirine, Everolimus, Famotidine, Felodipine, Fenspiride, Fexofenadine, Flecainide, Fluconazole, Fluoxetine, Fluvoxamine, Furosemide, Galantamine, Gatifloxacin, Gefitinib, Granisetron, Grepafloxacin, Halofantrine, Haloperidol, Hydroxychloroquine, Hydroxyzine, Ibutilide, Imatinib, Imipramine, Irbesartan, Isradipine, Ivabradine, Ketanserin, Ketoconazole, Lacosamide, Lamivudine, Lamotrigine, Lapatinib, Levocetirizine, Levofloxacin, Levosimendan, Lidocaine, Linezolid, Loperamide, Lopinavir, Loratadine, Manidipine, Maprotiline, Maraviroc, Mefloquine, Mepivacaine, Mesoridazine, Methadone, Metoclopramide, Metoprolol, Metronidazole, Mexiletine, Mibefradil, Milrinone, Mitoxantrone, Mizolastine, Moxifloxacin, Nebivolol, Nelfinavir, Nifekalant, Nicardipine, Nifedipine, Nilotinib, Nilvadipine, Nimodipine, Nisoldipine, Nitrendipine, Nortriptyline, Ofloxacin, Olanzapine, Omecamtiv mecarbil, Ondansetron, Oseltamivir, Osimertinib, Oxybutinin, Paliperidone, Palonosetron, Paroxetine, Pentamidine, Pentobarbital, Phenytoin, Pimozide, Piperacillin, Pitolisant, Prenylamine, Primidone, Procainamide, Procaine, Promethazine, Propafenone, Propranolol, Quetiapine, Quinidine, Quinine, Raltegravir, Ranolazine, Ribavirin, Ribociclib, Rilpivirine, Risperidone, Ritonavir, Ropivacaine, Roxithromycin, Rufinamide, Saquinavir, Sematilide, Sertindole, Sertraline, Sibutramine, Sildenafil, Silodosin, Sitaglitin, Solifenacin, Sotalol, Sparfloxacin, Sulpiride, Sunitinib, Tadalafil, Tamoxifen, Tedisamil, Telbivudine, Telithromycin, Terfenadine, Terodiline, Tetracaine, Thioridazine, Tolterodine, Trimipramine, Vandetanib, Vanoxerine, Vardenafil, Venlafaxine, Verapamil, Vernakalant, Voriconazole, Ziprasidone
Other results are in progress.....
Used methodology:
Using in silico computational simulation (O' Hara-Rudy dynamic model), the effects of various drugs on the cardiac action potential of the human endo-, mid- and epi-cardial myocytes were tested in order to evaluate their cardiac safety pharmacology profiles.
For this purpose, the conductance of various cardiac channels was modified in the ORd algorithm by a scaling factor which was a function of the IC50s of a drug for these channels and a multiple of the EFTPC (effective free therapeutic plasma concentration) of this drug (raw data from Mirams et al, 2011; Kramer et al, 2013, Mirams et al, 2014, Okada et al, 2015, Obejero-Paz et al, 2015, Crumb et al, 2016, Ando et al,2016, Passini et al, 2019, Llopis-lorente et al,2020, Pubchem, drugbank on line , Watt et al, 2022, ...)
From these results, the effects of the various drugs were determined on various cardiac markers such as early afterdepolarization (EAD), transmural dispersion of repolarization (TDR), reverse use dependence (RUD), prolongation or shortening of the action potential duration (APD), triangulation, increase or decrease of maximal rate of action potential rise (Vmax), qNet (integration sum of ICaL+IKr+IKs+Ito+INaL+IK1), Vmin (minimal rate of AP decrease at EAD take-off voltage)