Molecular interactions of 4-acetoxy-plakinamine B with peripheral anionic and other catalytic subsites of the aromatic gorge of acetylcholinesterase: Computational and structural insights

Pharmaceutical Biology

Volumn 51, Issue 6, 2013, Pages 722-727

  Khan, Inamullah ^a   Samad, Abdus ^a   Khan, Amir Zada ^a   Habtemariam, Solomon ^b   Badshah, Amir ^a   Abdullah, Syed Muhammad ^c,d   Ullah, Naseem ^e   Khan, Abuzar ^a   Zia Ul Haq, Muhammad ^f  

^a UNIVERSITY OF PESHAWAR   (Pakistan)

^b UNIVERSITY OF GREENWICH   (United Kingdom)

^c ISLAMIA COLLEGE UNIVERSITY   (Pakistan)

^d Institute of Biological and Chemical Sciences   (Pakistan)

^e Mardan Campus   (Pakistan)

^f UNIVERSITY OF KARACHI   (Pakistan)

Author keywords

Acetylcholine; Alzheimer's disease; Docking; Enzyme inhibition; Marine natural products

Indexed keywords

4 ACETOXYPLAKINAMINE B; ACETIC ACID DERIVATIVE; ACETYLCHOLINESTERASE; AMINO ACID; ARGININE; CHOLINESTERASE INHIBITOR; GLYCINE; HETEROCYCLIC NITRO COMPOUND; NATURAL PRODUCT; PHENYLALANINE; SERINE; TYROSINE; UNCLASSIFIED DRUG;

ALZHEIMER DISEASE; ARTICLE; BINDING AFFINITY; BINDING SITE; CATALYSIS; COMPUTER ANALYSIS; DIPOLE; DRUG PENETRATION; ENZYME ACTIVE SITE; ENZYME INHIBITION; ENZYME KINETICS; ENZYME STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PROTEIN SECONDARY STRUCTURE; STRUCTURE ANALYSIS;

ACETYLCHOLINESTERASE; ALKALOIDS; BINDING SITES; CHOLINESTERASE INHIBITORS; COMPUTER SIMULATION; DRUG DESIGN; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DOCKING SIMULATION; STEROIDS;

EID: 84877806277     PISSN: 13880209     EISSN: 17445116     Source Type: Journal    
DOI: 10.3109/13880209.2013.764329     Document Type: Article

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