Computer-aided structure-based design of multitarget leads for Alzheimer's disease

Journal of Chemical Information and Modeling

Volumn 55, Issue 1, 2015, Pages 135-148

  Domínguez, José L ^a   Fernández Nieto, Fernando ^b   Castro, Marian ^a   Catto, Marco ^c   Paleo, M Rita ^a,b   Porto, Silvia ^b   Sardina, F Javier ^b   Brea, José M ^a   Carotti, Angelo ^c   Villaverde, M Carmen ^a   Sussman, Fredy ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^b s n   (Spain)

^c UNIVERSITY OF BARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOMATION; BINDING SITES; DIAGNOSIS; GLYCOPROTEINS; MOLECULAR DYNAMICS;

ALZHEIMER DISEASE; ALZHEIMER'S DISEASE; AUTOMATED SCREENING; COMPUTER ASSISTED; MOLECULAR TARGETS; NEURODEGENERATIVE; ORDERS OF MAGNITUDE; STRUCTURE-BASED DESIGNS;

NEURODEGENERATIVE DISEASES;

ACETYLCHOLINESTERASE; AMYLOID BETA PROTEIN; AMYLOID BETA-PROTEIN (12-28); ASPARTIC PROTEINASE; BACE1 PROTEIN, HUMAN; CARBAZOLE; CARBAZOLE DERIVATIVE; INDOLE DERIVATIVE; LIGAND; PEPTIDE FRAGMENT; SECRETASE;

ALZHEIMER DISEASE; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; DRUG SCREENING; HUMAN; METABOLISM; MOLECULAR DYNAMICS; MOLECULARLY TARGETED THERAPY; PROCEDURES; SYNTHESIS;

ACETYLCHOLINESTERASE; ALZHEIMER DISEASE; AMYLOID BETA-PEPTIDES; AMYLOID PRECURSOR PROTEIN SECRETASES; ASPARTIC ACID ENDOPEPTIDASES; BINDING SITES; CARBAZOLES; CHEMISTRY TECHNIQUES, SYNTHETIC; COMPUTER-AIDED DESIGN; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HUMANS; INDOLES; LIGANDS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR TARGETED THERAPY; PEPTIDE FRAGMENTS;

EID: 84921655173     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500555g     Document Type: Article

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