In Silico Analyses of a Promising Drug Candidate for the Treatment of Amyotrophic Lateral Sclerosis Targeting Superoxide Dismutase I Protein

• Published in: Pharmaceutics Vol. 15; no. 4; p. 1095
• Main Authors: Pereira, Gabriel Rodrigues Coutinho, Abrahim-Vieira, Bárbara de Azevedo, de Mesquita, Joelma Freire
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 29.03.2023; MDPI
• Subjects: ADMET prediction; Amyotrophic lateral sclerosis; Chemical bonds; Drug therapy; Health aspects; Hydrogen bonds; in silico; Ligands; Ligands (Biochemistry); molecular dynamics; Mutation; Oxidation; Pharmacokinetics; Proteins; Simulation; Software; Superoxide dismutase; Testing; Toxicity; Brazil; United States > US; ADMET prediction; in silico; molecular dynamics; amyotrophic lateral sclerosis

Amyotrophic lateral sclerosis (ALS) is the most prevalent motor neuron disorder in adults, which is associated with a highly disabling condition. To date, ALS remains incurable, and the only drugs approved by the FDA for its treatment confer a limited survival benefit. Recently, SOD1 binding ligand...