A proline-based neuraminidase inhibitor: DFT studies on the zwitterion conformation, stability and formation

International Journal of Molecular Sciences

Volumn 10, Issue 9, 2009, Pages 3918-3930

  Yang, Zhi Wei ^a   Wu, Xiao Min ^a   Zhou, Li Jun ^a   Yang, Gang ^a,b  

^a NORTHEAST FORESTRY UNIVERSITY   (China)

^b SHANDONG UNIVERSITY   (China)

Author keywords

Density functional calculations; Neuraminidase inhibitor; Relative stability; Water; Zwitterions

Indexed keywords

5 [1 (ACETYLAMINO) 2 METHOXY 2 METHYLPENTYL] 4 (1 PROPENYL) DEXTRO PROLINE; AMPHOLYTE; ANTIVIRUS AGENT; PROLINE; SIALIDASE INHIBITOR; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ENERGY; ENZYME INHIBITION; EPIDEMIC; HYDROGEN BOND; INFLUENZA; INFLUENZA VIRUS A H1N1; ISOMER; MOLECULE; NONHUMAN; STRUCTURE ANALYSIS;

DENSITY FUNCTIONAL CALCULATIONS; NEURAMINIDASE INHIBITOR; RELATIVE STABILITY; WATER; ZWITTERIONS;

ACETAMIDES; ANTIVIRAL AGENTS; DRUG STABILITY; ENZYME INHIBITORS; HYDROGEN BONDING; INFLUENZA A VIRUS, H1N1 SUBTYPE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NEURAMINIDASE; PROLINE; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS; WATER;

EID: 70350058663     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms10093918     Document Type: Article

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