Experimental Methodologies and Evaluations of Computer-Aided Drug Design Methodologies Applied to a Series of 2-Aminothiophene Derivatives with Antifungal Activities.docVIP
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Experimental Methodologies and Evaluations of Computer-Aided Drug Design Methodologies Applied to a Series of 2-Aminothiophene Derivatives with Antifungal Activities
Molecules 2012, 17, 2298-2315; doi:10.3390/moleculeOPEN ACCESS
molecules
ISSN 1420-3049
/journal/molecules
Article
Experimental Methodologies and Evaluations of Computer-Aided
Drug Design Methodologies Applied to a Series of
2-Aminothiophene Derivatives with Antifungal Activities
Luciana Scotti 1,*, Marcus Tullius Scotti 2, Edeltrudes de Oliveira Lima 3,
Marcelo Sobral da Silva 1, Maria do Carmo Alves de Lima 4, Ivan da Rocha Pitta 4,
Ricardo Olímpio de Moura 5, Jaismary Gonzaga Batista de Oliveira 5,
Rayssa Marques Duarte da Cruz 5 and Francisco Jaime Bezerra Mendon?a Junior 5,*
1
Centro de Biotecnologia, Universidade Federal da Paraíba, Jo?o Pessoa 50670-910, PB, Brazil;
E-Mail: marcelosobral@ltf.ufpb.br (M.S.S.)
2
Departamento de Engenharia e Meio Ambiente, Universidade Federal da Paraíba, Campus IV,
Rio Tinto 58297-000, PB, Brazil; E-Mail: mtscotti@
3
Laboratório Micologia, Departamento de Ciências Farmacêuticas, Centro de Ciências da Saúde,
Universidade Federal da Paraíba, Jo?o Pessoa 50670-910, PB, Brazil;
E-Mail: edelolima@.br
4
Laboratório de Planejamento e Síntese de Fármacos, Departamento de Antibióticos,
Universidade Federal de Pernambuco, Recife 50670-910, PE, Brazil;
E-Mails: nenalima.mariadocarmo@ (M.C.A.L.); irpitta@ (I.R.P.)
5
Laboratório de Síntese e Vetoriza??o de Moléculas, Departamento de Ciências Biológicas,
Universidade Estadual da Paraíba, Rua Horácio Trajano de Oliveira s/n, Cristo Redentor,
Jo?o Pessoa 58070-450, PB, Brazil; E-Mails: ricardo.olimpiodemoura@ (R.O.M.);
jaismaryy@ (J.G.B.O.); rayssaduarte@ (R.M.D.C.)
* Authors to whom correspondence should be addressed: E-Mails: luciana.scotti@ (L.S.);
franciscojbmendonca@.br (F.J.B.M.J.); Tel.: +55-83-3191-1528 (L.S.);
Tel.: +55-83-9924-1423 (F.J.B.M.J.); Fax: +55-83-3223-1128.
Received: 30 November 2011; in revised form: 3 February 2012 / Accepted: 21 February 2012 /
Published: 24 February 2012
Abstract: Fifty 2-[(arylidene)amino]-4,5-cycloalkyl[b]thiophene-3-carbonitrile
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