Why is computer-aided drug discovery (CADD) valuable in the drug development process?

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BlackTom AI · Accepted Answer

Question: Why is computer-aided drug discovery (CADD) valuable in the drug development process?

Option present: 'CADD helps prioritize compounds for experimental testing, reducing time and cost.'

Analysis of the provided option: This statement captures a core rationale for using CADD in drug discovery. By computationally screening large libraries of molecules, researchers can rank and prioritize the most promising candidates before committing resources to synthesis and experimental assays. This leads to a more efficient funneling of efforts, often reducing both the time required to identify hits and the overall cost of early-stage screening. The idea rests on concepts such as virtual screening, quantitative structure–activity relationships (QSAR), and molecular docking, which collectively help predict biological activity and binding potential without immediate lab work.

Since no other options are given in the prompt, there is nothing to compare against directly. However, to deepen understanding, consider what other typical statements might claim and why they could be flawed:

- A claim that CADD replaces experimental testing entirely would be incorrect; while CADD streamlines prioritization, empirical validation remains essential to confirm activity, selectivity, toxicity, and pharmacokinetic properties in real biological systems.
- A claim that CADD only reduces time but not cost would be incomplete; parallel computational pipelines can also reduce costs by lowering the number of wasted experiments and enabling smarter resource allocation.
- A claim that CADD is useful only for final-stage lead optimization would neglect its role earlier in hit discovery, target engagement prediction, and scaffold hopping, where it can influence which starting points are pursued.
- A claim that CADD always perfectly predicts activity would be unrealistic; computational models have limitations and uncertainty, requiring iterative refinement with experimental data.

In summary, the given option correctly identifies a primary value proposition of CADD: it streamlines the discovery process by prioritizing compounds for testing, thereby saving time and reducing costs. The lack of additional choices in the prompt prevents a fuller comparative critique, but the principle stated aligns with the established utility of computer-aided approaches in early-stage drug discovery.

2254 BIOSC 1544 SEC1000 Quiz #8: Ligand Binding Fundamentals

Why is computer-aided drug discovery (CADD) valuable in the drug development process?

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