Computational Drug Discovery MCQs are very important test and often asked by various testing services and competitive exams around the world. Here you will find all the Important Computational Drug Discovery MCQs for Preparation.
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Computational Drug Discovery Online MCQs with Answers
Which of the following techniques is used in computational drug discovery?
a) X-ray crystallography
b) NMR spectroscopy
c) Molecular docking
d) Mass spectrometry
Computational drug discovery involves the use of __________ to identify potential drug candidates.
a) Experimental methods
b) High-throughput screening
c) Computer algorithms
d) Clinical trials
Which of the following is a commonly used software for molecular docking in computational drug discovery?
a) Gaussian
b) VMD
c) Schrödinger Suite
d) PyMOL
Virtual screening is used in computational drug discovery to:
a) Determine the three-dimensional structure of a protein
b) Predict the toxicity of a compound
c) Identify potential drug candidates from a large database
d) Synthesize new chemical compounds
Which of the following is a technique used for structure-based drug design in computational drug discovery?
a) QSAR modeling
b) Pharmacophore modeling
c) Molecular dynamics simulation
d) Fragment-based drug design
What is the purpose of ligand-based drug design in computational drug discovery?
a) To optimize the binding affinity of a drug candidate
b) To identify potential drug targets
c) To predict the pharmacokinetic properties of a drug
d) To determine the three-dimensional structure of a protein
Which of the following is a commonly used software for molecular modeling in computational drug discovery?
a) AutoDock
b) TINKER
c) AMBER
d) CHARMM
Which of the following techniques is used for ligand-based virtual screening in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) QSAR modeling
Which of the following is a technique used for de novo drug design in computational drug discovery?
a) Scaffold hopping
b) Virtual screening
c) Molecular docking
d) QSAR modeling
Which of the following is a commonly used tool for de novo drug design in computational drug discovery?
a) MOE
b) ChemDraw
c) Discovery Studio
d) MarvinSketch
Which of the following is a commonly used tool for QSAR modeling in computational drug discovery?
a) OpenEye
b) ChemAxon
c) RDKit
d) BIOVIA
Which of the following is a technique used for protein structure prediction in computational drug discovery?
a) X-ray crystallography
b) NMR spectroscopy
c) Homology modeling
d) Mass spectrometry
Which of the following is a commonly used software for protein structure prediction in computational drug discovery?
a) MODELLER
b) PyRosetta
c) GROMACS
d) SPARTAN
Which of the following techniques is used for target-based virtual screening in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) QSAR modeling
Which of the following is a commonly used tool for target-based virtual screening in computational drug discovery?
a) AutoDock Vina
b) LIGPLOT
c) GOLD
d) PyMOL
Which of the following is a technique used for pharmacophore modeling in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Ligand-based virtual screening
d) QSAR modeling
Which of the following is a commonly used software for pharmacophore modeling in computational drug discovery?
a) Maestro
b) MOE
c) SYBYL-X
d) PyRx
Which of the following techniques is used for fragment-based drug design in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) NMR spectroscopy
d) QSAR modeling
Which of the following is a commonly used tool for fragment-based drug design in computational drug discovery?
a) CDOCKER
b) YASARA
c) Glide
d) CHARMM
Which of the following is a technique used for ADMET prediction in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Virtual screening
Which of the following is a commonly used software for ADMET prediction in computational drug discovery?
a) MOE
b) Schrödinger Suite
c) Derek Nexus
d) Pipeline Pilot
Which of the following techniques is used for molecular dynamics simulation in computational drug discovery?
a) X-ray crystallography
b) NMR spectroscopy
c) Homology modeling
d) Force fields
Which of the following is a commonly used software for molecular dynamics simulation in computational drug discovery?
a) GROMACS
b) VMD
c) CHARMM
d) PyMOL
Which of the following techniques is used for protein-ligand binding affinity prediction in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Binding free energy calculation
d) QSAR modeling
Which of the following is a commonly used tool for protein-ligand binding affinity prediction in computational drug discovery?
a) AutoDock
b) NAMD
c) AMBER
d) CHARMM
Which of the following techniques is used for quantitative structure-activity relationship (QSAR) modeling in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) Machine learning algorithms
Which of the following is a commonly used machine learning algorithm for QSAR modeling in computational drug discovery?
a) Random Forest
b) Support Vector Machines (SVM)
c) Neural Networks
d) All of the above
Which of the following techniques is used for scaffold hopping in de novo drug design?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) Fragment-based drug design
Which of the following is a commonly used technique for lead optimization in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Structure-activity relationship analysis
Which of the following is a commonly used software for lead optimization in computational drug discovery?
a) Schrödinger Suite
b) MOE
c) SYBYL-X
d) Discovery Studio
Which of the following is a commonly used database for compound screening in computational drug discovery?
a) PubChem
b) ChemSpider
c) ZINC
d) All of the above
Which of the following techniques is used for drug repurposing in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Virtual screening
d) QSAR modeling
Which of the following is a commonly used tool for drug repurposing in computational drug discovery?
a) DrugBank
b) ChEMBL
c) PharmGKB
d) CADD-Suite
Which of the following techniques is used for target identification in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Virtual screening
d) Systems biology analysis
Which of the following is a commonly used tool for target identification in computational drug discovery?
a) STRING
b) KEGG
c) Reactome
d) Cytoscape
Which of the following techniques is used for toxicity prediction in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Adverse Outcome Pathway (AOP) analysis
Which of the following is a commonly used tool for toxicity prediction in computational drug discovery?
a) Tox21
b) TOPKAT
c) ADMET Predictor
d) Derek Nexus
Which of the following techniques is used for drug-enzyme interaction analysis in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) QSAR modeling
Which of the following is a commonly used tool for drug-enzyme interaction analysis in computational drug discovery?
a) SwissDock
b) GROMACS
c) GOLD
d) AutoDock Vina
Which of the following techniques is used for protein-protein interaction analysis in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Binding free energy calculation
d) Protein-protein docking
Which of the following is a commonly used tool for protein-protein interaction analysis in computational drug discovery?
a) HADDOCK
b) NAMD
c) CHARMM
d) AMBER
Which of the following techniques is used for drug-drug interaction analysis in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) QSAR modeling
Which of the following is a commonly used tool for drug-drug interaction analysis in computational drug discovery?
a) PASS
b) VinaLC
c) METEOR
d) PyMOL
Which of the following techniques is used for drug solubility prediction in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) COSMO-RS calculation
Which of the following is a commonly used tool for drug solubility prediction in computational drug discovery?
a) ALOGPS
b) ADMET Predictor
c) COSMOtherm
d) TINKER
Which of the following techniques is used for drug permeability prediction in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) In silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction
Which of the following is a commonly used tool for drug permeability prediction in computational drug discovery?
a) PAMPA
b) Caco-2 cell assay
c) ADMET Predictor
d) MDCK cell assay
Which of the following techniques is used for drug-drug interaction prediction in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) Pharmacophore modeling
d) Drug interaction databases
Which of the following is a commonly used database for drug-drug interaction prediction in computational drug discovery?
a) DrugBank
b) ChEMBL
c) PubChem
d) PDB
Which of the following techniques is used for predicting drug metabolism in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) In silico metabolism prediction
Which of the following is a commonly used tool for predicting drug metabolism in computational drug discovery?
a) MetaPrint2D
b) ADMET Predictor
c) MetaSite
d) P450
Which of the following techniques is used for predicting drug toxicity in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Toxicity databases
Which of the following is a commonly used database for predicting drug toxicity in computational drug discovery?
a) Tox21
b) TOPKAT
c) DrugBank
d) ChemSpider
Which of the following techniques is used for predicting drug bioavailability in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) In silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction
Which of the following is a commonly used tool for predicting drug bioavailability in computational drug discovery?
a) ADMET Predictor
b) Bioavailability Radar
c) PASS
d) SwissADME
Which of the following techniques is used for predicting drug clearance in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) In silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction
Which of the following is a commonly used tool for predicting drug clearance in computational drug discovery?
a) ADMET Predictor
b) P450
c) SwissADME
d) GastroPlus
Which of the following techniques is used for predicting drug-drug interaction pharmacokinetics in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Physiologically-based pharmacokinetic (PBPK) modeling
Which of the following is a commonly used tool for predicting drug-drug interaction pharmacokinetics in computational drug discovery?
a) Simcyp
b) DrugBank
c) GastroPlus
d) P450
Which of the following techniques is used for predicting drug toxicity pathways in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Toxicity pathway databases
Which of the following is a commonly used database for predicting drug toxicity pathways in computational drug discovery?
a) Tox21
b) ChemSpider
c) DrugBank
d) ChEMBL
Which of the following techniques is used for predicting drug-induced cardiotoxicity in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Cardiotoxicity databases
Which of the following is a commonly used database for predicting drug-induced cardiotoxicity in computational drug discovery?
a) ToxCast
b) ChemSpider
c) DrugBank
d) ChEMBL
Which of the following techniques is used for predicting drug-induced hepatotoxicity in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Hepatotoxicity databases
Which of the following is a commonly used database for predicting drug-induced hepatotoxicity in computational drug discovery?
a) ToxCast
b) HepatoPac
c) DrugBank
d) ChEMBL
Which of the following techniques is used for predicting drug-induced nephrotoxicity in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Nephrotoxicity databases
Which of the following is a commonly used database for predicting drug-induced nephrotoxicity in computational drug discovery?
a) ToxCast
b) Nephrotoxicity Knowledge Base (NKBASE)
c) DrugBank
d) ChEMBL
Which of the following techniques is used for predicting drug-induced neurotoxicity in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Neurotoxicity databases
Which of the following is a commonly used database for predicting drug-induced neurotoxicity in computational drug discovery?
a) ToxCast
b) NeuroToxicity Knowledge Base (NTEKB)
c) DrugBank
d) ChEMBL
Which of the following techniques is used for predicting drug-induced skin toxicity in computational drug discovery?
a) Molecular docking
b) Molecular dynamics simulation
c) QSAR modeling
d) Skin toxicity databases