Cheminformatic Tools and Databases for Pharmacology

session 13792 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
NITAZOXANIDE (has an active metabolite)

NITAZOXANIDE


ATC P01AX11

ANTIPARASITIC
ANTHELMINTIC
ANTIPROTOZOAL
INTERFERENCE WITH PYRUVATE:FERREDOXIN OXIDOREDUCTASE (PFOR) ENZYME DEPENDENT ELECTRON TRANSFER REACTION WHICH IS ESSENTIAL TO ANAEROBIC ENERGY METABOLISM
RAPIDLY HYDROLYSED IN TIZOXANIDE

ORAL

F 70 PERCENT

SOLUBILITY PRATICALLY INSOLUBLE IN WATER

PYRUVATE:FERREDOXIN OXIDOREDUCTASE

PDB 3V35 (ALDOSE REDUCTASE COMPLEXED WITH A NITRO COMPOUND)

LIGAND CODE = NTI (link to the list of PDB complexes)

Download experimental 3D coordinates of NTI with added hydrogens

PYRUVATE:FERREDOXIN OXIDOREDUCTASE INHIBITOR CHEMBL2364027 PYRUVATE:FERREDOXIN OXIDOREDUCTASE Q24982 PYRUVATE:FERREDOXIN OXIDOREDUCTASE GIARDIA INTESTINALIS ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
TIZOXANIDE (is an active metabolite)

TIZOXANIDE


ATC P01AX11

ANTIPARASITIC
ANTHELMINTIC
ANTIPROTOZOAL
INTERFERENCE WITH PYRUVATE:FERREDOXIN OXIDOREDUCTASE (PFOR) ENZYME DEPENDENT ELECTRON TRANSFER REACTION WHICH IS ESSENTIAL TO ANAEROBIC ENERGY METABOLISM

-

Cmax 40 MICROMOLAR

Tmax 2.5 HOUR

PPB 99 PERCENT

PYRUVATE:FERREDOXIN OXIDOREDUCTASE

PYRUVATE:FERREDOXIN OXIDOREDUCTASE INHIBITOR CHEMBL2364027 PYRUVATE:FERREDOXIN OXIDOREDUCTASE Q24982 PYRUVATE:FERREDOXIN OXIDOREDUCTASE GIARDIA INTESTINALIS ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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