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Structural basis for the potent inhibition of the HIV integrase-LEDGF/p75 protein–protein interaction
(Elsevier Science Inc, 2017-08)
Integrase (IN) constitutes one of the key enzymes involved in the lifecycle of the Human Immunodeficiency Virus (HIV), the etiological agent of AIDS. The biological role of IN strongly depends on the recognition and binding ...
Antibacterial and Cytotoxic Activity of Extracts and Secondary Metabolites Obtained from Plants and Lichens of Patagonia Austral
(CRC Press - Taylor & Francis Group, 2007)
In medicinal chemistry, the discovery of a new lead structure substance represents the most uncertain stage in a drug development program. In the past, the discovery of lead compounds depended essentially upon random ...
2D-QSAR and 3D-QSAR/CoMSIA studies on a series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-phenylethan-1-ol with human β3-adrenergic activity
(MDPI, 2017-03)
The beta(3) adrenergic receptor is raising as an important drug target for the treatment of pathologies such as diabetes, obesity, depression, and cardiac diseases among others. Several attempts to obtain selective and ...
2D-QSAR and 3D-QSAR/CoMSIA studies on a series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-phenylethan-1-ol with human β3-adrenergic activity
(2017-03)
The β3 adrenergic receptor is raising as an important drug target for the treatment of pathologies such as diabetes, obesity, depression, and cardiac diseases among others. Several attempts to obtain selective and high ...
CoMFA and CoMSIA 3D QSAR Models for a Series of Cyclic Imides with Analgesic Activity
(BENTHAM SCIENCE PUBL LTD, 2009)
Three-dimensional quantitative structure-activity relationships (3D-QSAR) were performed for a series of analgesic cyclic imides using the CoMFA and CoMSIA methods. Significant correlation coefficients ( CoMFA, r(2) = 0.95 ...
Four-Dimensional Structure-Activity Relationship Model to Predict HIV-1 Integrase Strand Transfer Inhibition using LQTA-QSAR Methodology
(Amer Chemical SocWashingtonEUA, 2012)
Quantitative Structure-Activity Relationship study for pesticides by means of classification techniquesEstudio de la Relación Cuantitativa Estructura-Actividad de pesticidas mediante técnicas de clasificación
(USFQ PRESS, departamento editorial de la Universidad San Francisco de Quito USFQ, 2014)
Quantum‐chemical study of the relation between electronic structure and pA2 in a series of 5‐substituted tryptamines
(1985)
We have analyzed the dependence of the serotonin receptor binding affinity on the electronic and steric reactivity indexes for a group of 5‐substituted tryptamines. The approaches employed are a new nonempirical Quantitative ...