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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 ...
In silico prediction of P-glycoprotein binding: Insights from molecular docking studies
(Bentham Science Publishers, 2019)
Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating a-asarone-based HMG-CoA reductase inhibitors
(2012-11-28)
A series of a-asarone-based analogues was designed by conducting docking experiments with published
crystal structures of human HMG-CoA reductase. Indeed, synthesis and evaluation of this series showed a
highly ...
Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating a-asarone-based HMG-CoA reductase inhibitors
(2013-01-30)
A series of a-asarone-based analogues was designed by conducting docking experiments with published
crystal structures of human HMG-CoA reductase. Indeed, synthesis and evaluation of this series showed a
highly ...
Design, synthesis, and docking of highly hypolipidemic agents:Schizosaccharomyces pombe as a new model for evaluating a-asarone-based HMG-CoA reductase inhibitors
(2013-02-26)
A series of a-asarone-based analogues was designed by conducting docking experiments with published
crystal structures of human HMG-CoA reductase. Indeed, synthesis and evaluation of this series showed a
highly ...
Molecular docking studies of the antitumoral activity and characterization of new chalcone
(BENTHAM SCIENCE PUBLISHERS B.V., 2018)
Structural and Docking Studies of beta-lapachone Derivatives
(Int Union Crystallography, 2005-01-01)
COX Inhibition Profiles and Molecular Docking Studies of the Lignan Hinokinin and Some Synthetic Derivatives
(2018-01-01)
Encouraged by the anti-inflammatory activity of hinokinin in vivo, which is also observed for the analogues dinitrohinokinin and diidrocubebin, herein we used in vitro and in silico methods to assess their selectivity ...