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In silico analysis of SOD1 aggregation inhibition modes of tertiary amine pyrazolone and pyrano coumarin ferulate as ALS drug candidates.

Physical chemistry chemical physics : PCCP - 11 Oct 2023

Rahman Aziza, Saikia Bondeepa, Baruah Anupaul

Abstract excerpt

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease, the familial form (fALS) of which is often cognate to mutations in the antioxidant enzyme Cu/Zn superoxide dismutase 1 (SOD1) leading to misfolding and aggregation. Two small molecules, a tertiary amine pyrazolone (TAP) and a pyrano coumarin ferulate (PCF) were suggested to be ALS drug candidates following experimental observation of their...

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PMID: 37782142
DOI: 10.1039/d3cp03978a

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