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Molecular docking and drug discovery in β-adrenergic receptors
(Bentham Science Publishers B.V., 2017)
Probing the binding of the coumarin drugs using peptide fragments of DNA gyrase B protein
(2005-05-01)
Bacterial DNA gyrase, has been identified as the target of several antibacterial agents, including the coumarin drugs. The coumarins inhibit the gyrase action by competitive binding to the ATP-binding site of DNA gyrase B ...
Probing the binding of the coumarin drugs using peptide fragments of DNA gyrase B protein
(2005-05-01)
Bacterial DNA gyrase, has been identified as the target of several antibacterial agents, including the coumarin drugs. The coumarins inhibit the gyrase action by competitive binding to the ATP-binding site of DNA gyrase B ...
In silico prediction of P-glycoprotein binding: Insights from molecular docking studies
(Bentham Science Publishers, 2019)
Free drug theory
(Springer, 2021)
The free drug theory (sometimes also termed free drug hypothesis) provides a conceptual framework increasingly used to understand pharmacokinetics/pharmacodynamics (PK/PD) relationships [1]. It underlines the central role ...
Hydrogen bond dynamic propensity studies for protein binding and drug design
(Public Library of Science, 2016-10-28)
We study the dynamic propensity of the backbone hydrogen bonds of the protein MDM2 (the natural regulator of the tumor suppressor p53) in order to determine its binding properties. This approach is fostered by the observation ...