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Fragment-based QSAR: perspectives in drug design
(SpringerDordrecht, 2009-08)
Drug design is a process driven by innovation and technological breakthroughs involving a combination of advanced experimental and computational methods. A broad variety of medicinal chemistry approaches can be used for ...
Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica
(Sociedade Brasileira de Química, 2010)
This paper describes 2D-QSAR and 3D-QSAR studies against Candida albicans and Cryptococcus neofarmans for a set of 20 bisbenzamidines. In the studies of 2D-QSAR with C. albicans it was obtained a correlation between log ...
Hologram- and descriptor-based QSAR studies for a series of non-azoles derivatives active against C. neoformans
(Brasil, 2013)
Over the last decades fungal infections have become an increasing health problem, especially for immunocompromised patients. Unfortunately, the gold standard prophylactic therapy for such ailment is based on azole derivatives, ...
Four-Dimensional Structure-Activity Relationship Model to Predict HIV-1 Integrase Strand Transfer Inhibition using LQTA-QSAR Methodology
(Amer Chemical SocWashingtonEUA, 2012)
Estudos de QSAR baseados em dados de atividade biológica obtidos por microcalorimetria: III interação de m-alcoxifenóis e p-hidroxibenzoatos de alquila com Escherichia coliQSAR based on biological microcalorimetry: III interaction of m-alcoxy-phenols and p-hydroxybenzoates with Escherichia coli
(Sociedade Brasileira de Química, 1997)
SYNTHETIC, SPECTRAL, ANTIMICROBIAL AND QSAR STUDIES ON NOVEL MANNICH BASES OF GLUTARIMIDES
(Sociedad Chilena de Química, 2010)
QSAR of Clerodane Diterpenoids with Cytotoxic and Antitumoral Activity Against V-79 Cells
(Wiley-v C H Verlag GmbhWeinheimAlemanha, 2009)
Advanced QSAR Studies on PPAR delta Ligands Related to Metabolic Diseases
(Sociedade Brasileira de QuímicaSão Paulo, 2012)
PPAR delta is a nuclear receptor that, when activated, regulates the metabolism of carbohydrates and lipids and is related to metabolic syndrome and type 2 diabetes. To understand the main interactions between ligands and ...