(L)ADME(T) and Lipinski's Rule of 5 Quiz

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17 Questions

What is the bitstring for Cyclobutan?


How are the answers represented in the result of this process?

As a list of binary values - either true (1) or false (0).

What is the purpose of non-hashed fingerprints?

To encode precisely defined structural patterns.

What does each pattern in the fingerprints activate?

A certain number of positions (bits) in the fingerprint.

What is omitted in the fingerprints?


What does the acronym ADME(T) stand for?

Absorption, Distribution, Metabolism, Elimination/excretion, Toxicity

What is Lipinski's Rule of 5 (RO5) used for?

To predict the likelihood of a compound becoming an orally active drug.

What does SAcore in the context of drug discovery stand for?

Synthetic Accessibility score

What are Structural Alerts in drug discovery?

Molecular patterns associated with specific types of toxicity.

What is the Tanimoto coefficient (Tc) used for?

To assess similarity between chemical structures encoded by bitstrings.

What do Pharmacophore Models aim to do in drug discovery?

To identify compounds that match specific features for biological activity.

What is the main difference between Structure-Based Drug Design (SBDD) and Ligand-Based Drug Design (LBDD)?

SBDD involves molecular docking calculations between each molecule and the biological target, while LBDD uses a set of geometric rules and/or physical-chemical properties obtained by QSAR studies.

What is Virtual Screening in drug design?

Virtual Screening is a computational approach to assess the interaction of an insilico library of small molecules with the structure of a target macromolecule to identify new molecules with desired activity.

What is the purpose of applying a scoring function in Structure-Based Drug Design?

The scoring function is applied to evaluate the affinity between a molecule and the biological target.

Name two databases commonly used in Virtual Screening for drug discovery.

SciFinder, ZINC, PubChem, ChemSpider

What are the two types of filters used to reduce the number of compounds in Virtual Screening?

Filters for applicability domain and filters to estimate 'drug-likeness'.

List three properties of a drug according to the text.

High affinity to a protein target, soluble, permeable

Test your knowledge on the absorption, distribution, metabolism, elimination/excretion (ADME) process of drugs, as well as Lipinski's Rule of 5 and beyond. Explore topics like drug travel, pharmacological responses, toxicity, drug targets, and more.

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