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4.2 Structure Prediction & Drug Discovery — Test 1
Q1. Homology (comparative) modelling predicts a protein's structure by:✓ Using the known structure of a related protein as a template
Q2. Threading (fold recognition) is used to predict structure when:✓ No close homologue exists, by fitting the sequence to known folds
Q3. Ab initio (de novo) structure prediction attempts to predict structure:✓ From the sequence alone, using physical principles, without a template
Q4. Secondary-structure prediction methods (e.g. Chou-Fasman, GOR, PSIPRED) predict:✓ Which residues form helices, sheets or coils
Q5. Molecular docking is a computational method that predicts:✓ How a small molecule (ligand) binds to a target protein
Q6. Virtual screening in drug discovery involves:✓ Computationally testing many compounds against a target to find candidates
Q7. Structure-based drug design relies on knowing the:✓ 3D structure of the target (e.g. its binding site)
Q8. Pharmacoinformatics is the application of informatics to:✓ Drug discovery and pharmacology data
Q9. In drug discovery, a 'lead compound' is a molecule that:✓ Shows promising activity and is a starting point for optimisation
Q10. A docking 'scoring function' is used to:✓ Estimate and rank the binding affinity of poses
Q11. The deep-learning method that dramatically advanced protein-structure prediction is:✓ AlphaFold
Q12. Energy minimisation is applied to a predicted model in order to:✓ Relax the structure into a more stable, lower-energy conformation
Q13. The reliability of a homology model depends most strongly on the:✓ Sequence similarity between target and template
Q14. ADMET properties, considered in drug discovery, refer to a compound's:✓ Absorption, Distribution, Metabolism, Excretion and Toxicity
Q15. The first step in a rational drug-discovery pipeline is usually:✓ Identifying and validating a suitable biological target
Q16. A major advantage of in-silico (computational) screening over purely experimental screening is that it:✓ Reduces time and cost by prioritising candidates before lab work
Q17. The binding site (active site) of a target protein is important in drug design because it is:✓ Where a drug molecule binds to exert its effect
Q18. Comparative modelling, threading and ab initio methods are all approaches to:✓ Predicting protein 3D structure from sequence
Q19. Computer-aided drug design (CADD) is valuable largely because it:✓ Makes drug discovery more rational, faster and cheaper
Q20. Match each method/term with its description and select the correct option.✓ A-iii, B-ii, C-iv, D-i