Question

Suppose a drug molecule binds to a protein target. Complete the table which describes possible noncovalent interactions (NCT) in the binding site. Assume the drug has a variety of types of polar and nonpolar regions. Type of NCI Species able to form that NCI Parameters affecting the NCI ions; charged species dipole-dipole any hydrogen bond strength and orientation of dipole polarizability, size: molecular weight species with permanent dipoles (C=0, etc.) H bonded to N, O, or F and a dielectric size; type brF orientation dispersion ionic interaction Answer Bank

Answer 1

i) Dipole-dipole: Species with permanent dipoles (C=O, etc); strength and orientation of the dipole

ii) Hydrogen bond: H bonded to N, O or F; dispersion

iii) Polarizability, size, molecular weight: any; ions, charged species

iv) Ionic interaction: dielectric size, type of charge; orientation