Experimental methodologies and evaluations of computer-aided drug design methodologies applied to a series of 2-aminothiophene derivatives with antifungal activities

Molecules

Volumn 17, Issue 3, 2012, Pages 2298-2315

  Scotti, Luciana ^a   Scotti, Marcus Tullius ^a   De Oliveira Lima, Edeltrudes ^a   Da Silva, Marcelo Sobral ^a   Do Carmo Alves De Lima, Maria ^b   Da Rocha Pitta, Ivan ^b   De Moura, Ricardo Olímpio ^c   De Oliveira, Jaismary Gonzaga Batista ^c   Da Cruz, Rayssa Marques Duarte ^c   Mendonça Jr , Francisco Jaime Bezerra ^c  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^c STATE UNIVERSITY OF PARAÍBA   (Brazil)

Author keywords

2 Aminothiophene derivatives; Antifungal activity; Computer aided drug design; Density functional theory; Molecular modelling

Indexed keywords

ANTIFUNGAL AGENT; NITRILE; THIOPHENE DERIVATIVE;

ARTICLE; CANDIDA; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; CRYPTOCOCCUS NEOFORMANS; DRUG DESIGN; DRUG EFFECT; IC 50; MICROBIOLOGICAL EXAMINATION; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; SURFACE PROPERTY;

ANTIFUNGAL AGENTS; CANDIDA; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; CRYPTOCOCCUS NEOFORMANS; DRUG DESIGN; INHIBITORY CONCENTRATION 50; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; NITRILES; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SURFACE PROPERTIES; THIOPHENES;

EID: 84858994186     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules17032298     Document Type: Article

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