Application of 4D-QSAR Studies to a Series of Raloxifene Analogs and Design of Potential Selective Estrogen Receptor Modulators

Autor: de Alencastro Rb, Ana Carolina Rennó Sodero, Nelilma C. Romeiro, Lucio Mendes Cabral, Magaly Girão Albuquerque, Helena Carla Castro, da Cunha Ef, C. R. Rodrigues, de Oliveira Magalhaães U

Publikováno v: Molecules, Vol 17, Iss 6, Pp 7415-7439 (2012)
Molecules
Molecules; Volume 17; Issue 6; Pages: 7415-7439

Four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis was applied on a series of 54 2-arylbenzothiophene derivatives, synthesized by Grese and coworkers, based on raloxifene (an estrogen receptor-alpha antagonist), and eval

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https://doi.org/10.3390/molecules17067415

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4D-QSAR Models Applied to the Study of TGF- β1 Receptor Inhibitors.

Autor: Maria de Assis T; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras-MG37200-000, Brazil., Ramalho TC; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras-MG37200-000, Brazil., Ferreira da Cunha EF; Department of Chemistry, Federal University of Lavras, P.O. Box 3037, Lavras-MG37200-000, Brazil.

Publikováno v: Current topics in medicinal chemistry [Curr Top Med Chem] 2021; Vol. 21 (13), pp. 1157-1166.

Mechanistic studies of new oximes reactivators of human butyryl cholinesterase inhibited by cyclosarin and sarin.

Autor: de Lima WE; a Laboratory of Molecular Modeling, Chemistry Department , Federal University of Lavras , Lavras , MG 37200-000 , Brazil., Francisco A; a Laboratory of Molecular Modeling, Chemistry Department , Federal University of Lavras , Lavras , MG 37200-000 , Brazil., da Cunha EF; a Laboratory of Molecular Modeling, Chemistry Department , Federal University of Lavras , Lavras , MG 37200-000 , Brazil., Radic Z; b Skaggs School of Pharmacy and Pharmaceutical Sciences , University of California at San Diego , San Diego , CA , USA., Taylor P; b Skaggs School of Pharmacy and Pharmaceutical Sciences , University of California at San Diego , San Diego , CA , USA., França TC; c Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD) , Military Institute of Engineering , Rio de Janeiro , RJ 22290-270 , Brazil.; d Department of Chemistry & Biochemistry , Concordia University , Montreal , QC , Canada.; e Faculty of Informatics and Management, Center for Basic and Applied Research , University of Hradec Kralove , Hradec Kralove , Czech Republic., Ramalho TC; a Laboratory of Molecular Modeling, Chemistry Department , Federal University of Lavras , Lavras , MG 37200-000 , Brazil.; e Faculty of Informatics and Management, Center for Basic and Applied Research , University of Hradec Kralove , Hradec Kralove , Czech Republic.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2017 May; Vol. 35 (6), pp. 1272-1282. Date of Electronic Publication: 2016 Jun 07.

Combined experimental and theoretical study on the removal of pollutant compounds by peroxidases: affinity and reactivity toward a bioremediation catalyst.

Autor: Silva MC; a Department of Chemistry , Federal University of Minas Gerais , 31270-901 Belo Horizonte , Brazil., Torres JA; b Department of Chemistry , Federal University of Lavras , 37200-000 Lavras , Brazil., Castro AA; b Department of Chemistry , Federal University of Lavras , 37200-000 Lavras , Brazil., da Cunha EF; b Department of Chemistry , Federal University of Lavras , 37200-000 Lavras , Brazil., Alves de Oliveira LC; a Department of Chemistry , Federal University of Minas Gerais , 31270-901 Belo Horizonte , Brazil., Corrêa AD; b Department of Chemistry , Federal University of Lavras , 37200-000 Lavras , Brazil., Ramalho TC; b Department of Chemistry , Federal University of Lavras , 37200-000 Lavras , Brazil.; c Center for Basic and Applied Research , University Hradec Kralove , Hradec Kralove , Czech Republic.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2016 Sep; Vol. 34 (9), pp. 1839-48. Date of Electronic Publication: 2016 Jun 03.