Key result
Active (oxazolinylphenyl)isoxazoles fit the HRV-14 pore area, while inactive analogs show steric clash.
Why the study?
A model distinguishing active from inactive (oxazolinylphenyl)isoxazoles against HRV-14 based on X-ray crystallography data was needed.
Structural modeling based on X-ray crystallography identifies spatial requirements for (oxazolinylphenyl)isoxazoles to be active against human rhinovirus-14.
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Informs structure-based design of HRV antivirals; leaves open whether optimized compounds will show clinical activity.
Diana et al. (1990) studied Human rhinovirus-14 (HRV-14). (oxazolinylphenyl)isoxazoles vs. Inactive compounds was evaluated on Minimum inhibitory concentration against HRV-14 and X-ray conformation. Active (oxazolinylphenyl)isoxazoles occupy space below the pore area of the HRV-14 compound binding site, whereas inactive compounds display areas of excessive bulk around the phenyl ring.
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