Computational analysis of a dihydroxyflavone and a benzylideneoxyindole derivative for glaucoma-associated myocilin: insights into their molecular interactions and influence on hydration dynamics.

Abstract excerpt

Glaucoma, when associated with pathogenic myocilin mutations, is caused due to myocilin misfolding and aggregation. These mutations accumulate mainly in the olfactomedin domain (mOLF) of myocilin. Two small molecules, a benzylideneoxyindole derivative (BOD) and a dihydroxyflavone (DHF), were the earliest ligands suggested to be anti-aggregation lead compounds for myocilin-associated glaucoma, following...

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