Scrutiny of the mechanism of small molecule inhibitor preventing conformational transition of amyloid-β42 monomer: insights from molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics

Volumn 36, Issue 3, 2018, Pages 663-678

  Shuaib, Suniba ^a   Goyal, Bhupesh ^a  

^a SRI GURU GRANTH SAHIB WORLD UNIVERSITY   (India)

Author keywords

Alzheimer s disease; amyloid peptide; A 42 aggregation; MM PBSA; molecular dynamics simulations

Indexed keywords

2,5 DICHLORO N (4 PIPERIDINOPHENYL) 3 THIOPHENESULFONAMIDE; ALANINE; AMYLOID BETA PROTEIN[1-42]; GLUTAMIC ACID; GLUTAMINE; LEUCINE; LYSINE; METHIONINE; MONOMER; PHENYLALANINE; SULFONAMIDE; TYROSINE; UNCLASSIFIED DRUG; VALINE; AMYLOID BETA PROTEIN; AMYLOID BETA-PROTEIN (1-42); PEPTIDE FRAGMENT;

ALPHA HELIX; ARTICLE; BETA SHEET; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG MECHANISM; DRUG PROTEIN BINDING; DRUG STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; IN VITRO STUDY; IN VIVO STUDY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN AGGREGATION; PROTEIN CONFORMATION; ALZHEIMER DISEASE; ANTAGONISTS AND INHIBITORS; CHEMICAL PHENOMENA; CHEMISTRY; DRUG EFFECT; HUMAN; METABOLISM; MOLECULAR LIBRARY; PATHOLOGY; PHARMACOLOGY; PROTEINOSIS; THERMODYNAMICS;

ALZHEIMER DISEASE; AMYLOID BETA-PEPTIDES; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DYNAMICS SIMULATION; PEPTIDE FRAGMENTS; PROTEIN AGGREGATION, PATHOLOGICAL; PROTEIN CONFORMATION, ALPHA-HELICAL; SMALL MOLECULE LIBRARIES; THERMODYNAMICS;

EID: 85014425588     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2017.1291363     Document Type: Article

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