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Structure-based drug design strategies in medicinal chemistry
(Bentham ScienceSharjah, 2009-06)
A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of
leads, as well as to accelerate the development of high quality drug candidates. Structure-based drug design ...
Bioinformatics tools for screening of antiparasitic drugs
(Bentham Science Publishers Ltd, 2014)
DockBench: An integrated informatic platform bridging the gap between the robust validation of docking protocols and virtual screening simulations
(Molecular Diversity Preservation International, 2015-06-29)
Virtual screening (VS) is a computational methodology that streamlines the drug discovery process by reducing costs and required resources through the in silico identification of potential drug candidates. Structure-based ...
Structure-based virtual screening to get new scaffold inhibitors of the Ser/Thr protein kinase PknB from mycobacterium tuberculosis
(Bentham Science Publishers, 2016-12)
In search of new inhibitors of the Ser/Thr protein kinase PknB from Mycobacterium tuberculosis we carried out a structure-based virtual screening study to identify ATP-competitive inhibitors of this enzyme. These studies ...
Búsqueda de potenciales inhibidores del ensamblaje de la cápside del virus de la hepatitis B mediante el tamizaje virtual masivo basado en farmacóforoPharmacophore-Based Virtual Screening Toward the Discovery of potential inhibitors of Hepatitis B virus (HBV) capsid assembly
(Universidad Peruana de Ciencias Aplicadas (UPC)PE, 2024)
Discovery of new inhibitors of deoxyhypusine synthase (DHPS): Virtual screening and biochemical evaluation
(Amer Chemical Soc, 2014-08-10)
In silico screening of HIV-1 non-nucleoside reverse transcriptase and protease inhibitors
(ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER, 2008)
Two targets, reverse transcriptase (RT) and protease from HIV-1, were used during the past two decades to the discovery of non-nucleoside reverse transcriptase inhibitors (NNRTI) and protease inhibitors (PI) that belong ...
Triagem virtual de potenciais ligantes para a oncoproteína E6 do HPV tipo 16Virtual screening of potential ligands for oncoprotein E6 for the HPV type 16
(Universidade Federal de UberlândiaBrasilBiotecnologia, 2019)