Question

The computational methodology that tries to find the best matching between two molecules, a receptor and a ligand, is called?

• A. RASMOL
• B. Molecular matching
• C. Molecular modelling
• D. Molecular docking

Hint:

Molecular docking is a crucial computational technique in drug discovery that helps predict how small molecules (ligands) interact with their target proteins (receptors).

Answer 1

The Correct Option is D

The computational methodology that tries to find the best matching between two molecules, a receptor and a ligand, is called Molecular docking. This technique is used primarily in drug discovery to predict how a ligand will bind to its receptor.
(1) RASMOL: RASMOL is a molecular visualization tool, not a technique for receptor-ligand matching. Hence, this is not the correct answer.
(2) Molecular matching: While molecular matching involves comparing molecules, the specific technique for receptor-ligand interaction is molecular docking. Hence, this is not the correct answer.
(3) Molecular modelling: Molecular modelling refers to building and simulating molecular structures, but it is not the specific technique used for docking. Hence, this is not the correct answer.
(4) Molecular docking: This is the correct answer. Molecular docking refers to the computational method used to predict the preferred orientation of one molecule (ligand) to another (receptor).
Conclusion: The correct answer is Option 4: Molecular docking as it is the methodology used for receptor-ligand matching.