QSAR and docking analysis of A2B adenosine receptor antagonists based on non-xanthine scaffold

Medicinal Chemistry Research

Volumn 24, Issue 1, 2015, Pages 394-407

  Mansourian, Mahboubeh ^a,b   Fassihi, Afshin ^a   Saghaie, Lotfollah ^a   Madadkar Sobhani, Armin ^c,d   Mahnam, Karim ^e   Abbasi, Maryam ^a  

^a ISFAHAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^b YASUJ UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^c BARCELONA SUPERCOMPUTING CENTER   (Spain)

^d UNIVERSITY OF TEHRAN   (Iran)

^e SHAHREKORD UNIVERSITY   (Iran)

Author keywords

A2BAR antagonists; Molecular docking; Partial least square; Quantitative structure activity relationship

Indexed keywords

ADENOSINE A2 RECEPTOR ANTAGONIST; ADENOSINE A2B RECEPTOR ANTAGONIST; ASPARAGINE; GLUTAMIC ACID; HISTIDINE; ISOLEUCINE; LYSINE; PHENYLALANINE; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; BINDING SITE; CALCULATION; CHEMICAL STRUCTURE; DRUG DESIGN; DRUG STRUCTURE; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; SITE DIRECTED MUTAGENESIS; STATIC ELECTRICITY;

EID: 84920581252     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-014-1133-7     Document Type: Article

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